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Home> Hot Product Listed 4   > 4-Hydroxypyrazolo[3,4-d]pyrimidine

4-Hydroxypyrazolo[3,4-d]pyrimidine

CAS No.:315-30-0
EINECS(EC#):206-250-9
Molecular Weight:136.11
Molecular Formula:C5H4N4O (Products with the same molecular formula)
MOL File:315-30-0.mol
Names and Identifiers
Synonyms

ACO pyrazolo(3,4-d)pyrimidin-1-olAllopurinol 4-Hydroxypyrazolo(3,4-d)-pyrimidine Hydroxypyrazolodpyrimidine 1H-Pyrazolo[3,4-d]pyrimidin-4-ol4-Hydroxypyrazolo[3,4-d]pyrimidine

Inchi
InChI=1/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChkey
OFCNXPDARWKPPY-UHFFFAOYSA-N
Canonical Smiles
C1=C2C(=NC=NC2=O)NN1
Properties
Appearance
White to Off-White Solid
Density
1.89g/cm3
Melting Point
350℃
Boiling Point
290.8 °C at 760 mmHg
Refractive Index
1.816
Flash Point
129.7 °C
Water
0.35 g/L (25℃)
Solubilities
0.35 g/L (25 °C) in water
Color/Form
FLUFFY WHITE TO OFF-WHITE POWDER
Crystals
Stability
Stable under normal temperatures and pressures.
Storage temp
Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.
Spectral properties
MASS: 107183 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
UV Maximum absorption (O.1N Sodium hydroxide): 257 nm (molar extinction coefficient = 7200 g-moles/L); (0.1N hydrogen chloride): 250 nm (molar extinction coefficient = 7600 g-moles/L); (methanol): 252 nm (molar extinction coefficient = 7600 g-moles/L).
Safety and Handling
Hazard Codes
T:Toxic
Risk Statements
R25;R36/37/38;R43
Safety Statements
S24;S26;S36/37/39;S45
HazardClass
6.1
Safety

Human poison by ingestion. Poison experimentally by intraperitoneal and subcutaneous routes. An experimental teratogen. Human systemic effects by ingestion: blood leukopenia, dermatitis, jaundice, muscle weakness, thrombocytopenia. When heated to decomposition it emits toxic fumes of NOx. An FDA proprietary drug used as a xanthine oxidase inhibitor.
Hazard Codes?of Allopurinol (CAS NO.315-30-0):?ToxicT,IrritantXi,HarmfulXn
Risk Statements: 25-43-36/37/38-20/21/22
R25: Toxic if swallowed.?
R43: May cause sensitization by skin contact.?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37-45-36/37/39-26-24-36
S28: After contact with skin, wash immediately with plenty of soap-suds.?
S36/37: Wear suitable protective clothing and gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S24: Avoid contact with skin.?
S36: Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: UR0785000
HazardClass: 6.1
PackingGroup: III

PackingGroup
III
Skin, Eye, and Respiratory Irritations
May cause irritation. Remove to fresh air. Flush with copious quantities of water.
Cleanup Methods
Wipe up spillage or collect spillage using a high- efficiency vacuum cleaner. Avoid breathing dust. Place spillage in appropriately labeled container for disposal. Wash spill site.
Transport
UN 2811
Fire Fighting Procedures
Water spray, dry chemical, carbon dioxide, or foam as appropriate for surrounding fire and materials.
As with all fires, evacuate personnel to a safe area. Firefighters should use self-contained breathing equipment and protective clothing.
Formulations/Preparations
Allopurinol Preparations: (AHFS, 2009) Allopurinol Preparations: (AHFS, 2009) Route Dosage Form Strength Brand (Manufacturer) Oral Tablets 100 mg Zyloprim; (Prometheus) Oral Tablets 300 mg Zyloprim; (Prometheus) Parenteral Injection 500 mg of allopurinol Aloprim; (Nabi)
Oral Tablets, 100 mg, Lopurin (scored), Boots; Zyloprim (with povidone; scored), Burroughs Wellcome; 300 mg, Lopurin (scored), Boots; Zyloprim (with povidone; scored), Burroughs Wellcome.
Tablets, 100 and 300 mg
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, including allopurinol, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Reactivities and Incompatibilities
/Incompatible with/ strong oxidizing agents.
Allopurinol sodium injection has been reported to be incompatible with various drugs (eg, sodium bicarbonate), but the compatibility depends on several factors (eg, concentrations of the drugs, resulting pH, temperature). Specialized references should be consulted for specific compatibility information.
Drugs that are physically incompatible in solution with (allopurinol sodium) for Injection Amikacin sulfate, Hydroxyzine HCl, Amphoterecin, BIdarubicin HCl, CarmustineImipenem-cilastatin sodium, Cefotaxime sodium, Mechlorethamine HCl, Chlorpromazine HCl, Meperidine HCl, Cimetidine HCl, Metoclopramide HCl, Clindamycin phosphate, Methylprednisolone sodium succinate, Cytarabine, Minocycline HCl Dacarbazine, Nalbuphine HCl, Daunorubicin HCl, Netilmicin sulfate, Diphenhydramine HCl, Ondansetron HCl, Doxorubicin HCl, Prochlorperazine edisylate, Doxycycline hyclate, Promethazine HCl, Droperidol, Sodium bicarbonate, Floxuridine, Streptozocin, Gentamicin sulfate,Tobramycin sulfate, Haloperidol lactate, and Vinorelbine tartrate
Other Preventative Measures
This material is assumed to be combustible. As with all dry powders, it is advisable to ground mechanical equipment in contact with dry material to dissipate the potential buildup of static electricity.
As a general rule, when handling USP Reference Standards avoid all contact and inhalation of dust, mists, and/or vapors associated with the material. Wash thoroughly after handling.
/Use/ safety glasses or goggles /and/ protect exposed skin.
Protective Equipment and Clothing
Engineering controls such as exhaust ventilation are recommended.
Use a NIOSH-approved respirator, if it is determined to be necessary by an industrial hygiene survey involving air monitoring. In the event that a respirator is not required, an approved dust mask should be used.
Specification

?Allopurinol , with CAS number of 315-30-0, can be called 4-Hydroxypyrazol[3,4-D]pyrimidine ; 1H-pyrazolo[3,4-d]pyrimidin-4-ol (IM OCS) ; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one ; 4-Hydroxypyrazolo(3,4-d)pyrimidine ; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol ; 4-Hydroxypyrazolopyrimidine . Allopurinol (CAS NO.315-30-0) is very slightly soluble in cold water. Insoluble in diethyl ether. It is very slightly soluble in alcohol.

Octanol/Water Partition Coefficient
log Kow = -0.55
Report

Reported in EPA TSCA Inventory.

Disposal Methods
SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.
SRP: At the time of review, regulatory criteria for small quantity disposal are subject to significant revision, however, household quantities of waste pharmaceuticals may be managed as follows: Mix with wet cat litter or coffee grounds, double bag in plastic, discard in trash.
Reach Info
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name allopurinol

1.2 Other means of identification

Product number -
Other names AL-100

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
allopurinol allopurinol 315-30-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include toxic epidermal necrolysis with pseudomembranous conjunctivitis and ulceration of the lids and conjunctivae of both corneas. Cataracts may also occur. It may also cause Lesch-Nyhan syndrome, lymphosarcoma, reduced serum and urinary uric acid levels, hepatotoxicity, drowsiness, xanthine crystalluria, death (rare), myeloma, congestive myocardial disease, painful urination, blood in the urine, swelling of the lips and mouth, alkaline phosphatase increase, SGOT/SGPT increase, acute attacks of gout, ecchymosis, necrotizing angiitis, hepatic necrosis, hyperbilirubinemia, gastritis, dyspepsia, thrombocytopenia, myopathy, peripheral neuropathy, neuritis, paresthesia, somnolence, epistaxis, Lyell's syndrome, purpura, dermatitis and salivary gland swelling. Other symptoms may include skin rashes, fever, nausea, vomiting, diarrhea, leukopenia and eosinophilia. Reversible liver impairment may also occur. Exposure may cause maculopapular rashes, pruritus, abdominal pain, malaise and headaches. Exposure may also cause erythematous skin eruptions, aching muscles, bone marrow depression, vertigo and gastric irritation. It may also cause exfoliative lesions, urticaria, purpuric skin rash, hepatomegaly and peripheral neuritis. Other symptoms of exposure to this chemical may include chills, leukocytosis, Stevens-Johnson syndrome, vasiculitis, anorexia, severe weight loss, acute renal failure, aplastic anemia and agranulocytosis. Exposure may also lead to hypersensitivity, arthralgia, alopecia, liver damage, oxypurine calculi, xanthine stones, ichthyosis, general weakness, severe allergic reactions, hepatic abnormalities, neutropenia, oliguria, uremia, extensive intracutaneous infections, sepsis, pneumonia, hepatic necrosis, cholangitis, pericholangitis, jaundice, lymphadenopathy, granulomas in the liver, nephritis, severe arteritis and sarcoidoisis. Muscle weakness may occur. ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Treatment for hypersensitivity reaction: Administer glucocorticoids. Prolonged administration may be required after a severe reaction.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Water spray, dry chemical, carbon dioxide, or foam as appropriate for surrounding fire and materials.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Wipe up spillage or collect spillage using a high- efficiency vacuum cleaner. Avoid breathing dust. Place spillage in appropriately labeled container for disposal. Wash spill site.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in tight container as defined in the USP-NF. This material should be handled and stored per label instructions to ensure product integrity.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state White to Off-White Solid
Colour FLUFFY WHITE TO OFF-WHITE POWDER
Odour SLIGHT
Melting point/ freezing point 384\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 196\u00b0C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 66\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.35 g/L (25 \u00baC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 1.17X10-8 mm Hg at 25\u00b0C (est)
Density and/or relative density 1.89g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable in light and air

10.3 Possibility of hazardous reactions

4-HYDROXYPYRAZOLO(3,4-D)PYRIMIDINE is an amine derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. This chemical darkens above 300\u00b0C, and at an indefinite high temperature, it chars and decomposes. At 105\u00b0C, maximum stability occurs at pH 3.1- 3.4. This chemical decomposes in acidic and basic solutions.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

/Incompatible with/ strong oxidizing agents.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of oxides of /nitric oxide/.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for allopurinol(SRC), using a log Kow of -0.55(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of allopurinol is estimated as 71(SRC), using a log Kow of -0.55(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that allopurinol is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
allopurinol allopurinol 315-30-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:136.11146 [g/mol]
Molecular Formula:C5H4N4O
XLogP3:-0.5
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:13
Exact Mass:136.038511
MonoIsotopic Mass:136.038511
Topological Polar Surface Area:65.8
Heavy Atom Count:10
Formal Charge:0
Complexity:275
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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