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Home> Hot Product Listed B   > Benzylamine

Benzylamine

CAS No.:100-46-9
EINECS(EC#):202-854-1
Molecular Weight:107.15
Molecular Formula:C7H9N (Products with the same molecular formula)
MOL File:100-46-9.mol
Names and Identifiers
Synonyms

Aminomethylated polystyrene Benzylamine 98+ % (acidimetric)Benzenemethanamine AM resinBenzylamine

Inchi
InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChkey
WGQKYBSKWIADBV-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CN
Properties
Appearance
Colorless Liquid
Density
0.981
Melting Point
-30℃
Boiling Point
182-185℃
Vapour
0.713mmHg at 25°C
Refractive Index
1.5424-1.5444
Flash Point
72℃
Water
soluble
Solubilities
Soluble in water
Color/Form
LIGHT AMBER LIQUID
Stability
Stability Combustible. Incompatible with strong oxidizing agents, strong acids.
Spectral properties
MAX ABSORPTION: 255 NM (LOG E= 2.1); 262 NM (LOG E= 2.2); 270 NM (LOG E= 2.0); INDEX OF REFRACTION: 1.5401 @ 20 DEG C/D; SADTLER REFERENCE NUMBER: 866 (IR, PRISM); 170 (IR, GRATING)
IR: 7375 (Coblentz Society Spectral Collection)
UV: 266 (Sadtler Research Laboratories Spectral Collection)
NMR: 63 (Sadtler Research Laboratories Spectral Collection)
MASS: 327 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Intense mass spectral peaks: 77 m/z, 91 m/z, 107 m/z
Safety and Handling
Hazard Codes
C:Corrosive
Risk Statements
R21/22;R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
Safety

The Hazard Codes: ?C
The Risk Statements information:
34:? Causes burns
21/22:? Harmful in contact with skin and if swallowed?
The Safety Statements information:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice??
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection??
RIDADR: UN 2735 8/PG 2

PackingGroup
II
Sensitive
Air Sensitive
Skin, Eye, and Respiratory Irritations
Highly irritating to eyes, skin, and mucous membranes.
Transport
UN 2735
Reactivities and Incompatibilities
Incompatibility: N-chlorosuccinimide
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Equipment and Clothing
Highly irritating to eyes, skin, and mucous membranes.
Specification

? Benzylamine , with CAS number of 100-46-9, can be called .alpha.-Aminotoluene ; (Aminomethyl)benzene ; (Phenylmethyl)amine ; Benzenemethanamine ; Moringine ; alpha-Aminotoluene . Benzylamine (CAS NO.100-46-9) consists of a benzyl group, attached to an amine functional group. This colorless liquid is a common precursor in organic synthesis.

Octanol/Water Partition Coefficient
log Kow= 1.09 (measured)
Disposal Methods
The following wastewater treatment technologies have been investigated for benzylamine: concentration process: biological treatment.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2015
BorsodChem MCHZ 2016
Lanxess Deutschland GmbH 2010
more >
MSDS

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SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzylamine

1.2 Other means of identification

Product number -
Other names Phenylmethanamine

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 XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
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 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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
Benzylamine Benzylamine 100-46-9 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

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation of vapor causes irritation of the mucous membranes of the nose and throat, and lung irritation with respiratory distress and cough. Headache, nausea, faintness, and anxiety can occur. Exposure to vapor produces eye irritation with lachrymation, conjunctivitis, and corneal edema resulting in halos around lights. Direct local contact with liquid is known to produce severe and sometimes permanent eye damage and skin burns. Vapors may also produce primary skin irritation and dermatitis. (USCG, 1999)

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

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Organic bases/Amines and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Powder, alcohol-resistant foam, water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic nitrogen oxides may form in a fire. (USCG, 1999)

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

Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Cautiously neutralize remainder. Then wash away with plenty of water.

6.3 Methods and materials for containment and cleaning up

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

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

Fireproof. Separated from strong oxidants, strong acids and food and feedstuffs.Fireproof. Separated from strong oxidants, strong acids, food and feedstuffs.

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 Colorless Liquid
Colour Colorless liquid
Odour Ammonia-like odor
Melting point/ freezing point -1\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 184\u00b0C
Flammability Flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 60\u00b0C(lit.)
Auto-ignition temperature 405\u00b0C (761 deg F)
Decomposition temperature no data available
pH pH = 11.6 in water at a concentration of 100 g/L
Kinematic viscosity 1.78 mPa-s at 21.2\u00b0C, 0.295 mPa-s at 178.2\u00b0C
Solubility In water:soluble
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.713mmHg at 25\u00b0C
Density and/or relative density 0.981
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 under recommended storage conditions.

10.3 Possibility of hazardous reactions

FlammableIn presence of moisture, BENZYLAMINE may weakly corrode some metals. Liquid will attack some plastics (USCG, 1999). Neutralize acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Violent or explosive reaction with N-chlorosuccinimide

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes.

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: LC50; Species: Pimephales promelas (fathead minnow); Conditions: flow through, 23.9\u00b0C, pH 7.9, dissolved oxygen 6.9 mg/L, hardness 44.7 mg/L CaCO3, alkalinity 44.0 mg/L CaCO3; Concentration: 102 mg/L for 96 hr (confidence limit: 97.9-106 mg/L)
  • 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

AEROBIC: Benzylamine, present at 100 mg/L, reached an average 63.5% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). The results of different screening tests indicate that benzylamine is readily biodegradable(2); the test and results are as follows(3): Coupled Units test: 101% DOC removal; Zahn-Wellens test: 96% DOC removal after 4 days; Sturm test: 90% CO2 evolution; OECD Screening test: 96% DOC removal; Closed Bottle test: 30-day theoretical BOD of 53% using modified procedures(1). Using the Zahn-Wellens test, a degradation in excess of 90% was observed over a six-day incubation period(3). Biomineralization of benzylamine was measured (via 14-CO2 evolution) in sediment taken beneath a laundromat waste-water pond and a pristine control pond(4); benzylamine was rapidly degraded in both sediments without a lag period(4); depending upon depth of sediment, the mineralization rate constant ranged from 0.096 to 0.313 per day(3); the mean half-life was 3.3 days(3). Concentrations of 500 mg/L benzylamine were toxic to microorganisms in Warburg respirometer studies using activated sludge inocula(5,6).

12.3 Bioaccumulative potential

An estimated BCF of 2.4 was calculated for benzylamine(SRC), using a log Kow of 1.09(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 benzylamine is estimated as 270(SRC), using a log Kow of 1.09(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzylamine is expected to have moderate mobility in soil. The pKa of benzylamine is 9.33(4), indicating that this compound will almost entirely exist in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

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: UN2734 IMDG: UN2734 IATA: UN2734

14.2 UN Proper Shipping Name

ADR/RID: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. or POLYAMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
IMDG: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. or POLYAMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
IATA: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. or POLYAMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
Benzylamine Benzylamine 100-46-9 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 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:107.15306 [g/mol]
Molecular Formula:C7H9N
XLogP3:1.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:107.073499
MonoIsotopic Mass:107.073499
Topological Polar Surface Area:26
Heavy Atom Count:8
Formal Charge:0
Complexity:55.4
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 Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1