CAS No.59-67-6,Nicotinic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59-67-6
Name:	Nicotinic acid
Article Data:	301

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

Synthetic route

: 100-26-5
Pyridine-2,5-dicarboxylic acid

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
With water at 230℃; for 2h;	99.9%
With water at 205℃;
With water at 175 - 180℃; under 22065.2 Torr;

: 108-99-6
3-Methylpyridine

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
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%

: 31637-97-5
ETOFIBRATE

A: 59-67-6
nicotinic acid

B: 882-09-7
Clofibric acid

C: 107-21-1
ethylene glycol

Conditions

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

...Expand

: 500-22-1
3-pyridinecarboxaldehyde

: 59-67-6
nicotinic acid

Conditions

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 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	99%

: 100-55-0
3-hydroxymethylpyridin

: 59-67-6
nicotinic acid

Conditions

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%

: 614-18-6
3-pyridinecarboxylic acid ethyl ester

: 59-67-6
nicotinic acid

Conditions

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;

: 1312414-21-3
methyl-3-oxo-3-(pyridin-3-yl)propanedithioate

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 100℃; for 10h; Reflux; chemoselective reaction;	98%

: 23261-58-7
quinoline-5-sulfonic acid

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
With sulfuric acid; selenium at 240 - 300℃; for 1h; Product distribution; reaction time; SeO2 as catal.;	95%

: C8H6Cl3NO2

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
With indium; ammonium chloride In tetrahydrofuran for 11h; Heating;	95%

: 1120-90-7
3-iodopyridine

: 18414-58-9
diphenylmethylsilanecarboxylic acid

: 59-67-6
nicotinic acid

Conditions

Conditions	Yield
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%

Raw Materials

100-55-0

617-65-2

100-26-5

103-19-5

Downstream Products

59-67-6

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Chemistry

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

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."

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.

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.

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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 NO_x.
Hazard Codes: Irritant 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

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.