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Home> Hot Product Listed N   > Nicotinic acid
59-67-6 structure

Nicotinic acid

Iupac Name:pyridine-3-carboxylic acid
CAS No.:59-67-6
EINECS(EC#): 200-441-0
Molecular Weight:123.111
Molecular Formula:C6H5NO2 (isomer)
Names and Identifiers
Synonyms

.beta.-pyridinecarboxylic acid [5, 6-3h]-niacin 10361-13-4 (iron(2+) salt) 11054-EP2269610A2 11054-EP2269990A1 11054-EP2270002A1 11054-EP2270014A1 11054-EP2272825A2 11054-EP2272834A1 11054-EP2272848A1 11054-EP2274983A1 11054-EP2275401A1 11054-EP2277848A1 11054-EP2280001A1 11054-EP2289510A1 11054-EP2292228A1 11054-EP2292610A1 11054-EP2295406A1 11054-EP2295409A1 11054-EP2295424A1 11054-EP2298742A1 11054-EP2298772A1 11054-EP2298776A1 11054-EP2298779A1 11054-EP2301923A1 11054-EP2301929A1 11054-EP2301935A1 11054-EP2301937A1 11054-EP2305651A1 11054-EP2305674A1 11054-EP2308838A1 11054-EP2308839A1 11054-EP2308848A1 11054-EP2308854A1 11054-EP2308858A1 11054-EP2308874A1 11054-EP2311808A1 11054-EP2311816A1 11054-EP2311817A1 11054-EP2311829A1 11054-EP2311830A1 11054-EP2314588A1 11054-EP2316457A1 11054-EP2316458A1 11054-EP2316825A1 11054-EP2316826A1 11054-EP2316827A1 11054-EP2316828A1 16518-17-5 (potassium salt) 1976-28-9 (aluminum salt) 2679MF687A 28029-54-1 (manganese(2+) salt) 3-carboxylpyridine 3-carboxypyridine 3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E 3-picolinic acid 3pyrcooh 3-pyridine carboxylic acid 3-pyridinecarboxylic acid 3-pyridyl carboxylic acid 3-pyridylcarboxylic acid 5-pyridinecarboxylic acid AB00052050 AB00052050_14 AB00052050_15 AB00052050-13 AB1002056 abt-919 AC1L1AD5 AC1Q73P3 AC-22484 AC-907/25014105 acide nicotinique acide nicotinique [inn-french] acido nicotinico acido nicotinico [inn-spanish] acidum nicotinicum acidum nicotinicum [inn-latin] ai3-18994 AJ-08093 AKOS000118980 akotin AN-23622 antipellagra vitamin anti-pellagra vitamin apelagrin astra brand of niacinamide bdbm23515 beta-pyridinecarboxylic acid BIDD:GT0644 bionic BMSE000104 BP-21419 BPBIO1_000730 brn 0109591 BSPBIO_000662 BSPBIO_002069 C00253 c6h5no2 cas-59-67-6 caswell no. 598 CCG-38340 ccris 1902 CHEBI:15940 chembl573 cpd000059024 CS-1946 D00049 D06NVJ daskil davitamon pp DB00627 DB-007765 diacin direktan DIVK1C_000695 dsstox_cid_932 DTXSID1020932 EBD2198325 efacin einecs 200-441-0 enduracin epa pesticide chemical code 056701 F2191-0082 FC1287 FT-0082580 gtpl1594 HMS1570B04 HMS1920P17 HMS2091H22 HMS2097B04 HMS2236A05 HMS3259K21 HMS3371E07 HMS3655K08 HMS502C17 hsdb 3134 HY-B0143 I02-0699 IDI1_000695 induracin jenapharm brand of niacinamide KB-33243 KBIO1_000695 KBIO2_001543 KBIO2_004111 KBIO2_006679 KBIO3_001569 KBIOGR_001309 KBIOSS_001543 KSC236Q9T kyselina nikotinova [czech] L001199 linic LS-2334 M-5918 merck brand of niacinamide mfcd00006391 MLS000069603 m-pyridinecarboxylic acid N0082 N1103 nah naotin NCGC00016268-01 NCGC00016268-02 NCGC00016268-03 NCGC00016268-04 NCGC00016268-05 NCGC00094734-01 NCGC00094734-02 NCI60_001041 niac niacin niacin (nicotinic acid) niacin (tn) niacin (usp) Niacin (vitamin B3) niacin [usan] niacin magnesium niacin potassium niacinamide (tn) niacinamide astra brand niacinamide jenapharm brand niacinamide merck brand niacinamide pharmagenix brand niacinamide, nicotinic acid amide, nicotinamide NIACINE niacin-vitamin b3 niacor niacor (tn) niaspan niaspan (tn) niaspan titration starter pack nicacid nicagin nicamin nicangin nico nico-400 nicobid nicocap nicocidin nicocrisina nicodan nicodelmine nicodon nicolar niconacid niconat niconazid nicorol nicosan 3 nicoside nico-span nicosyl nicotamin nicotene nicotil nicotinamide (jp15/inn) nicotinamide (niacinamide) nicotinamide (tn) nicotinamide-carbonyl-14c nicotinate nicotine acid nicotinic acid (jp17/inn) nicotinic acid [inn:ban] nicotinic acid [matrix for maldi-tof/ms] Nicotinic acid(Medicine used) nicotinic acid, >=98% nicotinic acid, >=99.5% (hplc) nicotinic acid, analytical standard nicotinic acid, bioreagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98% nicotinic acid, meets usp testing specifications nicotinic acid, plant cell culture tested nicotinic acid, saj special grade, >=99.5% nicotinipca nicotinsaure nicotinsaure [german] nicovasan nicovasen nicyl nikotinsaeure NINDS_000695 NIO nipellen nsc 169454 nsc169454 nsc-169454 nyclin OPERA_ID_1346 OPREA1_514398 p.p. factor p.p. factor-pellagra preventive factor pellagra pellagra preventive factor pellagramin pellagrin pelonin peviton pharmagenix brand of niacinamide pharmakon1600-01500430 pp factor PRESTWICK0_000881 PRESTWICK1_000881 PRESTWICK2_000881 PRESTWICK3_000881 preventative factor PS-4255 PVNIIMVLHYAWGP-UHFFFAOYSA-N pyridine-.beta.-carboxylic acid pyridine-3-carbonic acid pyridine-3-carboxylate pyridine-3-carboxylic acid pyridine-beta-carboxylic acid pyridinecarboxylic acid, 3- pyridine-carboxylique-3 [french] RP00705 s115 S1744 SAM002554917 SC-05611 SCHEMBL1433 SDCCGMLS-0066610.P001 sk-niacin slo-niacin smr000059024 SPBIO_000011 SPBIO_002881 SPECTRUM_001063 SPECTRUM1500430 SPECTRUM2_000006 SPECTRUM3_000515 SPECTRUM4_000965 SPECTRUM5_001287 sr 4390 sr-01000722017 SR-01000722017-2 SR-01000722017-3 ST097540 ST2413625 STK301803 STR00112 tega-span tinic tox21_302904 TR-032523 unii-2679mf687a VB3 vitamin b3 vitamin b3 (niacin) vitaplex n wampocap wln: t6nj cvq ZINC1795

Inchi
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChkey
PVNIIMVLHYAWGP-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CN=C1)C(=O)O
Properties
Appearance
White crystalline powder
Density
1.473
Melting Point
234-238℃
Boiling Point
457° F (NTP, 1992)
Refractive Index
1.4936
Flash Point
193°C c.c.
Solubility
Slightly soluble
Color/Form
Needles from alc or water
Colorless needles
Other physical and chemical properties
PHYSICAL DESCRIPTION: Odorless white crystalline powder with a feebly acid taste. pH (saturated aqueous solution) 2.7. pH (1.3% solution) 3-3.5. (NTP, 1992)
Stability
Stable. Incompatible with strong oxidizing agents. May be light sensitive.
HS Code
29362990
Storage temp
0-6°C
Spectral properties
SADTLER REFERENCE NUMBER: 434 (IR, PRISM); 120 (IR, GRATING)
Max absorption: 263 nm
IR: 5076 (Coblentz Society Spectral Collection)
UV: 161 (Sadtler Research Laboratories Prism Collection)
1H NMR: 14671 (Sadtler Research Laboratories Spectral Collection)
MASS: 40521 (NIST/EPA/MSDC Mass Spectral database, 1990 version); 203 (National Bureau of Standards)
Intense mass spectral peaks: 78 m/z, 106 m/z, 137 m/z
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S24/25
Hazard Note
H319
Safety

Poison by intraperitoneal route. Moderately toxic by ingestion, intravenous, and subcutaneous routes. Human systemic effects: change in clotting factors, changes in platelet count. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.?
S24/25: Avoid contact with skin and eyes.
WGK Germany of Niacin (CAS NO.59-67-6): 1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 3500mg/kg (3500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Proceedings of the Society for Experimental Biology and Medicine. Vol. 38, Pg. 241, 1938.
man TDLo intravenous 357ug/kg (0.357mg/kg) CARDIAC: CARDIAC OUTPUT
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Annals of Internal Medicine. Vol. 29, Pg. 558, 1948.
man TDLo oral 2571mg/kg/90D (2571mg/kg) BLOOD: CHANGE IN CLOTTING FACTORS
BLOOD: CHANGES IN PLATELET COUNT
Archives of Internal Medicine. Vol. 152, Pg. 861, 1992.
man TDLo oral 9713mg/kg/58W (9713mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING
SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
Southern Medical Journal. Vol. 84, Pg. 496, 1991.
man TDLo oral 31200mg/kg/78 (31200mg/kg) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
JAMA, Journal of the American Medical Association. Vol. 279, Pg. 1702, 1998.
mouse LD50 intraperitoneal 358mg/kg (358mg/kg) ? Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD50 intravenous 5gm/kg (5000mg/kg) ? Therapie. Vol. 26, Pg. 831, 1971.
mouse LD50 oral 3720mg/kg (3720mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.
mouse LD50 subcutaneous 3500mg/kg (3500mg/kg) ? Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
mouse LD50 unreported 4gm/kg (4000mg/kg) ? British UK Patent Application. Vol. #2041937,
rabbit LD50 oral 4550mg/kg (4550mg/kg) ? Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD50 intraperitoneal 730mg/kg (730mg/kg) ? Oyo Yakuri. Pharmacometrics. Vol. 14, Pg. 741, 1977.
rat LD50 oral 7gm/kg (7000mg/kg) ? Drugs in Japan Vol. 6, Pg. 544, 1982.
rat LD50 subcutaneous 5gm/kg (5000mg/kg) ? Drugs in Japan Vol. 6, Pg. 544, 1982.
rat LD50 unreported 4gm/kg (4000mg/kg) ? United States Patent Document. Vol. #4412998,
rat LDLo intravenous 3500mg/kg (3500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Proceedings of the Society for Experimental Biology and Medicine. Vol. 38, Pg. 241, 1938.

Skin, Eye, and Respiratory Irritations
In the workplace, single or repeated contact can lead to a flush effect on the skin, including the face. The reddening is the result of increased peripheral blood circulation from dilation of capillaires at the skin surface. The flush effect is accompanied by sensations of itching, tingling, and warmness of the skin. It vanishes after the exposure has ended and is thus reversible.
Transport
25kgs
Formulations/Preparations
GRADES: NATIONAL FORMULARY; FOOD CHEMICALS CODEX; BLENDED WITH SOY FLOUR (ANIMAL FEEDS)
Oral: Capsules, extended-release: 125 mg; 250 mg; 400 mg; 500 mg; Tablets: 50 mg 100 mg; 250 mg; 500 mg; (available by nonproprietary name). Tablets, extended-release: 250 mg Slo-Niacin, (Upsher-Smith); 500 mg Slo-Niacin, (Upsher-Smith); 750 mg Slo-Niacin, (Upsher-Smith).
Oral: Tablets, extended-release: 500 mg with Lovastatin 20 mg Advicor ( with povidone), (Kos); 750 mg with Lovastatin 20 mg Advicor ( with povidone), (Kos); 1 g with Lovastatin 20 mg Advicor ( with povidone), (Kos); 1 g with Lovastatin 40 mg Advicor ( with povidone), (Kos). /Niacin combinations/
Oral: Tablets: 500 mg Niacor (scored), (Upsher-Smith). Tablets, extended-release: 500 mg Niaspan, (Kos); 750 mg Niaspan, (Kos); 1000 mg Niaspan, (Kos).
Exposure Standards and Regulations
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Niacin 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.
Reactivities and Incompatibilities
Dust explosion. Avoid contact with strong acids, alkaline solutions and oxidizing agents.
Protective Equipment and Clothing
In the workplace, single or repeated contact can lead to a flush effect on the skin, including the face. The reddening is the result of increased peripheral blood circulation from dilation of capillaires at the skin surface. The flush effect is accompanied by sensations of itching, tingling, and warmness of the skin. It vanishes after the exposure has ended and is thus reversible.
Specification

?Niacin (CAS NO.59-67-6), its Synonyms are Nicotinic acid ; 3-Pyridinecarboxylic acid ; 3-Carboxypyridine ; Acide nicotinique ; Acido nicotinico ; Acidum nicotinicum ; Akotin ; Apelagrin ; Kyselina nikotinova ; Enduracin ; Daskil ; Davitamon PP ; Diacin ; Direktan ; Niaspan Titration Starter Pack ; Nicacid ; Nicagin ; Nicamin ; Nicangin ; Pyridine-3-carboxylic acid ; Pyridine-beta-carboxylic acid ; Pyridine-carboxylique-3 ; Pyridinecarboxylic acid, 3- . It is odorless white crystalline powder with a feebly acid taste.

Octanol/Water Partition Coefficient
log Kow = 0.36
Report

Reported in EPA TSCA Inventory.

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 100_1000 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Lonza Cologne GmbH 2015
more >
MSDS

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

Precursor and Product
Computational chemical data
  • Molecular Weight:123.111g/mol
  • Molecular Formula:C6H5NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:123.032
  • Monoisotopic Mass:123.032
  • Complexity:114
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.2A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAADADBmgQ8iJIIEgCo AjD3TACCgCA1AiAI2CE4bNgIJvrAlZGEcYhmwAHI2caYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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