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CAS No.: | 59-67-6 |
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Name: | Nicotinic acid |
Article Data: | 301 |
Molecular Structure: | |
Formula: | C6H5NO2 |
Molecular Weight: | 123.111 |
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; |
EINECS: | 200-441-0 |
Density: | 1.293 g/cm3 |
Melting Point: | 236-239 °C(lit.) |
Boiling Point: | 292.467 °C at 760 mmHg |
Flash Point: | 130.68 °C |
Solubility: | 1-5 g/100 mL at 17 °C in water |
Appearance: | White powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 50.19000 |
LogP: | 0.77980 |
Conditions | Yield |
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With water at 230℃; for 2h; | 99.9% |
With water at 205℃; | |
With water at 175 - 180℃; under 22065.2 Torr; |
Conditions | Yield |
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With oxygen; V2O5/Sb2O3-TiO2 In water at 260 - 280℃; Industry scale; Inert atmosphere; Gas phase; | 99.58% |
With oxygen; V2O5/Sb2O3-TiO2 In water at 260 - 280℃; Product distribution / selectivity; Inert atmosphere; Gas phase; Industry scale; | 99.58% |
With water; oxygen Product distribution / selectivity; | 97.3% |
Conditions | Yield |
---|---|
With hydrogenchloride; [RuCl2(CO)2(Ph2P-3-C6H4COOH)2] In methanol; water at 75℃; for 0.333333h; | A 99.1% B n/a C n/a |
Conditions | Yield |
---|---|
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; oxygen In water at 30℃; for 24h; Enzymatic reaction; | 99% |
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 99% |
With 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h; | 99% |
Conditions | Yield |
---|---|
With tert-butyldimethylsilyl chloride In methanol; water at 20℃; for 0.5h; Reagent/catalyst; Green chemistry; | 99% |
With 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy In aq. buffer at 20℃; for 12h; pH=9.8 - 10.1; Electrolysis; | 96% |
With ferrous(II) sulfate heptahydrate; Oxone In water at 20℃; for 0.5h; Sonication; Green chemistry; | 94% |
Conditions | Yield |
---|---|
With PPA at 155℃; for 4.5h; | 98% |
With alkaline H2O In dimethyl sulfoxide at 30℃; Rate constant; other solvent (EtOH); variation of water concentrations; | |
esterase in WBN; IL-Ht rat abdominal skin homogenate at 37℃; Enzyme kinetics; |
methyl-3-oxo-3-(pyridin-3-yl)propanedithioate
nicotinic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water at 100℃; for 10h; Reflux; chemoselective reaction; | 98% |
quinoline-5-sulfonic acid
nicotinic acid
Conditions | Yield |
---|---|
With sulfuric acid; selenium at 240 - 300℃; for 1h; Product distribution; reaction time; SeO2 as catal.; | 95% |
nicotinic acid
Conditions | Yield |
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With indium; ammonium chloride In tetrahydrofuran for 11h; Heating; | 95% |
Conditions | Yield |
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With potassium trimethylsilonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0) In toluene at 40℃; for 0.333333h; | 95% |
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
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."
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.
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.
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. |
Reported in EPA TSCA Inventory.
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
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.