59-67-6 structure, C6H5NO2
Nicotinic acid
CAS No.: 59-67-6 Formula: C6H5NO2 Molecular Weight: 123.10900
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Nicotinic acid

CAS No.:

59-67-6

Formula:

C6H5NO2

Molecular Weight: 123.10900
Suppliers: All (415) China Suppliers (265) Price Available (61) Contractor (17)

Description

Nicotinic acid. It is a precursor of the coenzymes NAD and NADP. Widely distributed in nature; appreciable amounts are found in liver , fish, yeast and cereal grains. Dietary deficiency is associated with pellagra. The term “niacin” has also been applied to nicotinamide or to other derivatives exhibiting the biological activity of nicotinic acid. Vitamin (enzyme cofactor).

Basic Info

Chemical Name

Nicotinic acid

Synonyms

Pyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid;

CAS No.

59-67-6

Molecular Formula

C6H5NO2

Molecular Weight

123.10900

PSA

50.19000

LogP

0.77980

Numbering system

MDL number MFCD00006391
EINECS number 200-441-0

Properties

Appearance & Physical State

White to off white powder

Density

1.204g/cm3

Boiling Point

150-160ºC

Melting Point

128-131ºC

Flash Point

182ºC

Refractive Index

1.466 (20ºC)

Water Solubility

1000 g/L (20 ºC)

Stability

Stable. Incompatible with strong oxidizing agents.

Storage Condition

0-6ºC

Safety Info

RTECS

QS3675000

Safety Statements

S26-S36

HS Code

29362990

WGK Germany

1

Risk Statements

R36/37/38

Hazard Codes

Xi

Symbol

GHS07

Caution Statement

P280; P305 + P351 + P338; P337 + P313

Hazard Declaration

H319

Signal Word

Warning

SDS 1.0

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SDS 1.0

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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 Nicotinic acid

1.2 Other means of identification

Product number -
Other names Pyridine-3-carboxylic acid

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 MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
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
Nicotinic acid Nicotinic acid 59-67-6 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

SYMPTOMS: Symptoms of exposure to this compound include impaired liver function, dryness of the skin, anorexia, nausea, vomiting, diarrhea, activation of peptic ulcers, hepatic disease, hyperuricemia and circulatory collapse (after rapid intravenous injection). It may cause temporary flushing and a feeling of warmth, temporary headache, itching, tingling, skin rash and allergies. It may also cause burning of the skin, face and upper trunk and elevation of serum bilirubin. Other symptoms include mild irritation of upper respiratory tract and gastrointestinal disturbances. It may cause dyspepsia, hyperpigmentation, decrease in excretion of bromosulfophthalein, increase of plasma transaminase activities, incidence of acute gouty arthritis, acanthosis nigricans, hyperglycemia, increased vasodilation and cystoid edema of the macula. It may also cause furunculosis and other skin lesions, hypotension, abdominal cramps, mild diabetes and urticaria. Other symptoms include pruritus, toxic amblyopia, jaundice and decreased glucose tolerance. ACUTE/CHRONIC HAZARDS: This compound may cause mild irritation to the upper respiratory tract. When heated to decomposition it may emit toxic fumes of NOx.

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

Immediate withdrawal of niacin is the primary treatment in acute toxicity. Symptoms should resolve over several hours with sequelae. Aspirin or nonsteroidal antiinflammatory drugs can be used for symptoms. For chronic toxicity treatment, niacin should be stopped and attention given to presenting symptoms and findings. Patients with significant hepatotoxicity may require intensive care monitoring and supportive care until liver function recovers. ... Treatment of rhabdomyolysis includes monitoring of renal function, urinary alkalinization, and maintenance of urinary output.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used.

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

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers 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

Store in an area without drain or sewer access. Separated from strong acids, bases and 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 White to off white powder
Colour Needles from alc or water
Odour Odorless
Melting point/ freezing point 13°C(lit.)
Boiling point or initial boiling point and boiling range 145°C/1mmHg(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 193°C
Auto-ignition temperature 580°C
Decomposition temperature no data available
pH pH = 2.7 (saturated aq soln)
Kinematic viscosity no data available
Solubility In water:1000 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 5.70X10-6 mm Hg at 25°C (est)
Density and/or relative density 1.204g/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 AIR

10.3 Possibility of hazardous reactions

Dust explosion possible if in powder or granular form, mixed with air.NICOTINIC ACID is incompatible with strong oxidizers. It is also incompatible with sodium nitrite.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Dust explosion. Avoid contact with strong acids, alkaline solutions and oxidizing agents.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of nitroxides.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 7000 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: LC50 Salmo trutta (Brown trout) 520 mg/L 96 hr; static /Technical material, 99.8%
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (Water flea) 77 mg/L/48 hr; Effect: immobilization /Conditions of bioassay not specified in source examined
  • Toxicity to algae: EC50 Scenedesmus subspicatus (Green algae) 89.93 mg/L/72 hr; Effect: Growth inhibition /Conditions of bioassay not specified in source examined
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In aqueous, aerobic soil suspensions containing mineral salts and a fertile garden soil inoculum, nicotinic acid was completely degraded after 2 to 4 days of incubation(1). In aqueous, aerobic soil suspensions containing a silt loam soil inoculum, nicotinic acid was degraded by 16.1% after 1 day, 99.9% after 2 days, and 100% after 4 days of incubation(2). Nicotinic acid was readily biodegraded in screening tests using an activated sludge inoculum(3).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for nicotinic acid(SRC), using a log Kow of 0.36(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 nicotinic acid is estimated as 37(SRC), using a log Kow of 0.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that nicotinic acid is expected to have very high mobility in soil. The pKa of nicotinic acid is 4.75(4), indicating that this compound will primarily exist in the anion form in the environment and anions generally do not 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: 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
Nicotinic acid Nicotinic acid 59-67-6 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.

MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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59-67-6 NMR spectrum
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GC Analysis

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