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Nicotinic acid

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Name

Nicotinic acid

EINECS 200-441-0
CAS No. 59-67-6 Density 1.293 g/cm3
Solubility 1-5 g/100 mL at 17 °C in water Melting Point 236-239 °C(lit.)
Formula C6H5NO2 Boiling Point 292.467 °C at 760 mmHg
Molecular Weight 123.11 Flash Point 130.68 °C
Transport Information Appearance White powder
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 59-67-6 (Nicotinic acid) Hazard Symbols IrritantXi
Synonyms

Nicocidin;Efacin;Nicocap;Niacor;Niac;Nicamin;Nicotinipca;Daskil;Nicotene;Nicosan 3;Nicodon;Nicobid;Davitamon PP;pyridine-3-carboxylate;NICO;Peviton;Nicovasan;Nicotamin;Pellagrin;Niconat;Enduracin;Nicangin;Nicodelmine;Niacin (vitamin B3);Nicotinic acid(Medicine used);Nikotinsaeure;Niacin;

 

Nicotinic acid Chemical Properties


IUPAC Name: Pyridine-3-carboxylic acid
Molecular Formula: C6H5NO2
Molecular Weight: 123.11 g/mol
Canonical SMILES: C1=CC(=CN=C1)C(=O)O
InChI: InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
EINECS: 200-441-0
Classification Code: Antihyperlipidemic; Antilipemic Agents; Antimetabolites; Cardiovascular Agents; Drug / Therapeutic Agent; Growth Substances; Human Data; Micronutrients; Tumor data; Vasodilator Agents; Vitamin B Complex; Vitamin; Vitamins
H-Bond Donor: 1
H-Bond Acceptor: 3
Density: 1.293 g/cm3
Flash Point: 130.7 °C
Enthalpy of Vaporization: 56.18 kJ/mol
Boiling Point: 292.5 °C at 760 mmHg
Melting Point: 236-239 °C(lit.)
Storage temperature: 0-6°C
Water Solubility: 1.80E+04 mg/L at 25 °C
Henry's Law Constant: 5.11E-11 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 1.72E-13 cm3/molecule-sec at 25 °C
Vapour Pressure of Niacin (CAS NO.59-67-6): 5.70E-06 mm Hg at 25 °C

Nicotinic acid History

In 1873, Niacin was first described by Hugo Weidel in his studies of nicotine.Niacin was extracted from livers by Conrad Elvehjem who later identified the active ingredient, then referred to as the "pellagra-preventing factor" and the "anti-blacktongue factor." When the biological significance of nicotinic acid was realized, it was thought appropriate to choose a name to dissociate it from nicotine, in order to avoid the perception that vitamins or niacin-rich food contains nicotine, or that cigarettes contain vitamins. The resulting name 'niacin' was derived from nicotinic acid + vitamin.
 Niacin is referred to as Vitamin B3 because it was the third of the B vitamins to be discovered. It has historically been referred to as "vitamin PP."

Nicotinic acid Uses

 Niacin (CAS NO.59-67-6) feed grade is used as vitamin for poultry, swines, ruminants, fish, dogs and cats, etc. It is also used as intermediate for nicotinic acid derivatives and technical applications. Niacin USP is used for food fortification, as dietary supplement and as an intermediate of pharmaceuticals,as dietary supplement and as an intermediate of pharmaceuticals. It is a brand name for a sustained release Niacin tablet, which is used to reduce cholesterol.

Nicotinic acid Production

 Niacin (CAS NO.59-67-6) can be selectively isolated from the hydrolysis by varying the hydrolysis time and nitrite concentration. A higher hydrolysis temperature favors production of niacin.

Nicotinic acid Toxicity Data With Reference

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.

Nicotinic acid Consensus Reports

Reported in EPA TSCA Inventory.

Nicotinic acid Safety Profile

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: IrritantXi
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

Nicotinic acid 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.

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