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Home> Hot Product Listed N   > Nicotinamide

Nicotinamide

CAS No.:98-92-0
EINECS(EC#):202-713-4
Molecular Weight:122.13
Molecular Formula:C6H6N2O (Products with the same molecular formula)
MOL File:98-92-0.mol
Names and Identifiers
Synonyms

niacinamide cell culture tested 3-Pyridinecarboxyamide VB3 Vitamin B3 VPP Nicotinic acid amideNicotinamidePyridine-3-carboxamide Nicotinamide (1.06818) Pyridine-3-Carboxyamide Vitamin PP Niacinamide

Inchi
InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChkey
DFPAKSUCGFBDDF-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CN=C1)C(=O)N
Properties
Appearance
White to off white powder
Density
1.204g/cm3
Melting Point
128-131℃
Boiling Point
150-160℃
Refractive Index
1.466 (20 C)
Flash Point
182℃
Water
1000 g/L (20℃)
Solubilities
Incompatible with strong oxidizing agents
Color/Form
white
Stability
Stable. Incompatible with strong oxidizing agents.
HS Code
29362990
Storage temp
0-6°C
Spectral properties
MAX ABSORPTION (ALCOHOL): 255 NM (LOG E= 3.4); 262.5 NM (LOG E= 3.4); INDEX OF REFRACTION: 1.466; SADTLER REFERENCE NUMBER: 860 (IR, PRISM); 8106 (IR, GRATING)
Index of refraction: 1.466
IR: 5080 (Coblentz Society Spectral Collection)
UV: 261 (Sadtler Research Laboratories Spectral Collection)
1H NMR: 453 (Varian Associates NMR Spectra Catalogue)
13C NMR: 259 (Johnson and Jankowski, Carbon-13 NMR for Organic Chemists, John Wiley & Sons, New York)
MASS: 2279 (NIST/EPA/MSDC Mass Spectral database, 1990 version)
Raman: 518 (Sadtler Research Laboratories spectral collection)
Intense mass spectral peaks: 78 m/z, 106 m/z, 122 m/z
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R36/37/38
Safety Statements
S26;S36
Safety

Hazard Codes: Xi
Risk Statements: 36/37/38:?Irritating to eyes, respiratory system and skin?
Safety Statements: 26-36-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:?Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection.
Nicotinamide rarely causes side effects, and is considered generally safe as a food additive, and as a component in cosmetics and medication.
?

Cleanup Methods
Evacuate persons not wearing protective equipment from area of spill or leak until clean up is complete. Remove all ignition sources. Use HEPA vacuum or wet method to reduce dust during cleanup. Do not dry sweep. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate after clean up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material of contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or regional office of the federal EPA for specific recommendations. If employees are expected to clean up spills, they must be trained and equipped. OSHA 1910.120 may be applicable.
Transport
25kgs
Fire Fighting Procedures
This chemical is a noncombustible solid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. Poisonous gases are produced in fire. If material of contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increase in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.
Formulations/Preparations
Oral: Tablets: 50 mg; 100 mg; 500 mg. (available by nonproprietary name).
Nicotinamide is sold in three grades: pharmaceutical (USP, NF, Ph. Eur.(European Pharmacopeia)), food (USP/FCC), and feed-technical.
Exposure Standards and Regulations
Niacinamide used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Specification

?Nicotinamide , with CAS number of 98-92-0, can be called Niamide ; Niacinamide/Nicotinamide ; Austrovit PP ; beta.-Pyridinecarboxamide ; Nikotinsaeureamid ; Amid kyseliny nikotinove ; Nicotinamidum ; Pyridine-3-carboxylic acid amide ; Nikotinsaeureamid ; Nicotinamide(Vitamin B3) ; a-Alanine,N-[(2R)-2,4-dihydroxy-3,3- dimethyl-1-oxobutyl]- ; 3-Pyridinecarboxamide ; Nicotinamida ; Niacinamide ; 3-Pyridinecarboxylic acid amide ; Nicotine acid amide . Nicotinamide, also known as niacinamide and Nicotinic acid amide, is the amide of Nicotinic acid (vitamin B3). It is a water-soluble vitamin and is part of the vitamin B group.Nicotinic acid(also known as niacin)can be converte to niacinamide in vivo.?It is a?white to off white powder.

Octanol/Water Partition Coefficient
log Kow = -0.37
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Jubilant Lifesciences NV 2013
L'OREAL 2016
Lonza Cologne GmbH 2016
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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-\u200bPyridinecarboxamide

1.2 Other means of identification

Product number -
Other names 3-Pyridinecarboxamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

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
3-\u200bPyridinecarboxamide 3-\u200bPyridinecarboxamide 98-92-0 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

Fresh air, rest.

In case of skin contact

Rinse skin with plenty of water or shower.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Give one or two glasses of water to drink.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

Absorption, Distribution and Excretion

14(C)Niacinamide was incorporated into an oil-in-water (o/w) skin cream and into a 30% (w/w) soap base and applied to the skin of female Colworth Wistar rats. The final concentration of niacinamide in the soap solution was approximately 0.3% (w/v) and was 1% (w/w) in the skin cream. Application of the skin cream and soap paste was made to rat skin at approximately 20 mg/sq cm. The cream was carefully massaged over 10 sq cm of skin for up to 5 min before covering with polythene-lined occlusive protective patches. The rats were placed in metabolism cages for 48 hr during which time all excreta was collected. At 48 hr, the animals were killed and the patch, carcass, and treated area of skin were assayed for 14(C). Up to 32% 14(C) was recovered in excreta and in the carcasses from rats treated with skin cream containing 14(C)Niacinamide and up to 30% from those treated with soap paste.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

This chemical is a noncombustible solid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. Poisonous gases are produced in fire. If material of contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increase in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.

5.2 Specific hazards arising from the chemical

no data available

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: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

Evacuate persons not wearing protective equipment from area of spill or leak until clean up is complete. Remove all ignition sources. Use HEPA vacuum or wet method to reduce dust during cleanup. Do not dry sweep. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate after clean up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material of contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or regional office of the federal EPA for specific recommendations. If employees are expected to clean up spills, they must be trained and equipped. OSHA 1910.120 may be applicable.

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

Separated from oxidants.

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 PHYSICAL DESCRIPTION: White powder.
Colour White, powder, needles from benzene
Odour ODORLESS
Melting point/ freezing point -69\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 145\u00b0C(lit.)
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 150\u00b0C
Auto-ignition temperature 480\u00b0C
Decomposition temperature no data available
pH 10% "wt in vol" soln in water is neutral to litmus
Kinematic viscosity no data available
Solubility 2.8 [ug/mL]
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 4.2X10-4 mm Hg at 25\u00b0C (est)
Density and/or relative density 1.4
Relative vapour density (air = 1): 4.2
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable to heat, acids and alkali.

10.3 Possibility of hazardous reactions

Dust explosion possible if in powder or granular form, mixed with air.An amine and amide. Acts as a weak base in solution. 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. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of nitrogen oxides.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 3500 mg/kg
  • 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: EC50 Daphnia magna (Water flea) >1000 mg/L/24 hr; Effect: immobilization /Conditions of bioassay not specified in source examined
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Nicotinamide was determined to be readily biodegradable in an aerobic screening test recommended by the Department of Environment, Standing Committee of Analysts, UK(1).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for nicotinamide(SRC), using a log Kow of -0.37(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 nicotinamide is estimated as 15(SRC), using a log Kow of -0.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that nicotinamide is expected to have very 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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

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
3-\u200bPyridinecarboxamide 3-\u200bPyridinecarboxamide 98-92-0 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) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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:122.12464 [g/mol]
Molecular Formula:C6H6N2O
XLogP3:-0.4
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:122.048013
MonoIsotopic Mass:122.048013
Topological Polar Surface Area:56
Heavy Atom Count:9
Formal Charge:0
Complexity:114
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:2
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

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