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98-92-0

98-92-0 Structure

98-92-0 Structure
IdentificationMore
[Name]

Nicotinamide
[CAS]

98-92-0
[Synonyms]

3-PYRIDINECARBOXAMIDE
3-PYRIDINE CARBOXYLIC ACID AMIDE
3-PYRIDINECARBOXYLIC AMIDE
NIACINAMIDE
NICETHAMIDUM
NICOTINAMIDE
NICOTINIC ACID AMIDE
PYRIDINE-3-CARBOXAMIDE
PYRIDINE-3-CARBOXYLIC ACID AMIDE
TIMTEC-BB SBB004283
VITAMIN B3
VITAMIN B3/B5
VITAMIN PP
-(Aminocarbonyl)pyridine
3-Carbamoylpyridine
3-Pyridinecarboxyamide
Acid amide
acidamide
Amid kyseliny nikotinove
Amide PP
[EINECS(EC#)]

202-713-4
[Molecular Formula]

C6H6N2O
[MDL Number]

MFCD00006395
[Molecular Weight]

122.12
[MOL File]

98-92-0.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

128-131 °C(lit.)
[mp ]

128-131 °C(lit.)
[Boiling point ]

150-160 °C
[bp ]

150-160 °C
[density ]

1.40
[vapor density ]

4.22 (vs air)
[refractive index ]

1.4660 (estimate)
[Fp ]

182 °C
[storage temp. ]

0-6°C
[solubility ]

691g/l
[pka]

3.3(at 20℃)
[form ]

powder
[color ]

white
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Odor]

Odorless
[PH Range]

9
[PH]

6.0-7.5 (50g/l, H2O, 20℃)
[Water Solubility ]

1000 g/L (20 ºC)
[Decomposition ]

>=200 °C
[Usage]

Niacinamide USP DC is used as food additive, for multivitamin preparations and as intermediate for pharmaceuticals WWW Link
[Usage]

Niacinamide USP is used as food additive, for multivitamin preparations and as intermediate for pharmaceuticals and cosmetics. WWW Link
[Detection Methods]

HPLC,NMR
[Merck ]

14,6523
[BRN ]

383619
[InChIKey]

DFPAKSUCGFBDDF-UHFFFAOYSA-N
[Uses]

Niacinamide is a nutrient and dietary supplement that is an available form of niacin. Nicotinic acid is pyridine beta-carboxylic acid and nicotinamide, which is another term for niacinamide, is the corresponding amide. It is a powder of good water solubility, having a solubility of 1 g in 1 ml of water. Unlike niacin, it has a bitter taste; the taste is masked in the encapsulated form. Used in fortification of cereals, snack foods, and powdered beverages.
[Uses]

niacinamide is used as a skin stimulant and skin smoother. It is a derivative of niacin, and part of the vitamin B family.
[CAS DataBase Reference]

98-92-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Niacinamide(98-92-0)
[EPA Substance Registry System]

98-92-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
[RTECS ]

QS3675000
[F ]

8
[Autoignition Temperature]

480 °C
[TSCA ]

Yes
[HS Code ]

29362990
[Safety Profile]

Moderately toxic by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
[Hazardous Substances Data]

98-92-0(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Ammonium hydroxide-->Ammonia-->4-Chlorobenzaldehyde-->Nicotinic acid-->3-Cyanopyridine-->3-Picoline
【Preparation Products】

Nicotinic acid-->3-Cyanopyridine-->3-Aminopyridine-->Nicosulfuron-->Enoxacin-->2-Aminosulfonyl-N,N-dimethylnicotinamide-->4-(3-AMINOPROPYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE-->Diflufenican-->Nicotinamide-N-oxide-->NIPECOTAMIDE-->3-Pyridinecarboxylic acid N-hydroxymethylamide-->2-Aminonicotinic acid-->1-BENZYL-1,4-DIHYDRONICOTINAMIDE-->NICOTINANILIDE
Hazard InformationBack Directory
[General Description]

White powder.
[Reactivity Profile]

An amine and amide. Acts as a weak base in solution. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
[Air & Water Reactions]

Water soluble.
[Potential Exposure]

Used as a dietary supplement and food additive.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Incompatibilities]

Combustible solid; dust may form explosive mixture with air. Amides are incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.
[Originator]

Niacinamide,Twinlab
[Definition]

ChEBI: A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.
[Manufacturing Process]

Gaseous ammonia was passed into nicotinic acid at a temperature between 200-235°C until the conversion to nicotinamide was 85%. The reaction mixture was colored light brown. The reaction mass was cooled and grounds to a fine powder. Fifty grams of this crude nicotinamide were boiled with 500 ml of anhydrous ethyl acetate until a dark solution was. obtained. A little solid remained in suspension. Gaseous ammonia was passed in below the surface of the ethyl acetate at a temperature between 60-70°C. After a short time ammonium nicotinate started to precipitate out of solution as a brown solid. Sufficient gaseous ammonia, was passed into the ethyl acetate solution to insure complete precipitation of the nicotinic acids as ammonium nicotinate. The solution was filtered at about 60-70°C. The filter cake consisted of ammonium nicotinate, which, upon drying, weighed 12.4 grams. The filtrate was stirred arid boiled for 20 minutes with one-half gram of activated carbon and two grams of activated adsorbent clay. The mixture was filtered hot. The filtrate was boiled twenty minutes with one-half gram of activated carbon and two grams of activated adsorbent clay and then filtered hot. The carbon and clay treatment was repeated once more. The final filtrate was cooled slowly with stirring to room temperature to precipitate white crystalline nieocinamide which, upon drying, weighed 26.7 grams and had a melting point of 129.5°C, and was over 99 percent pure. The mother liquor from the above filtration was boiled down to one-third of its volume and cooled to room temperature. A second crop of nicotinamide of three grams was obtained.
[Therapeutic Function]

Enzyme cofactor vitamin
[Synthesis Reference(s)]

Journal of the American Chemical Society, 76, p. 5774, 1954 DOI: 10.1021/ja01651a043
Tetrahedron Letters, 36, p. 8657, 1995 DOI: 10.1016/0040-4039(95)01785-G
[Biochem/physiol Actions]

Nicotinamide is an amide derivative of vitamin B3 and a PARP inhibitor
[Clinical Use]

Niacin is used in the treatment of niacin deficiency, which is referred to as pellagra (from the Italian, pelle for “skin” and agra for “dry”). The major systems affected are the gastrointestinal tract (diarrhea, enteritis and stomatitis), the skin (dermatitis), and the CNS (generalized neurological deficits including dementia). Pellagra has become a rare condition in the United States and other countries that require or encourage enrichment of wheat flour or fortification of cereals with niacin. Because the nucleotide form can be synthesized in vivo from tryptophan, pellagra is most often seen in areas where the diet is deficient in both niacin and tryptophan. Typically, maize (corn)-based diets meet this criteria. Niacin deficiency can also result from diarrhea, cirrhosis, alcoholism, or Hartnup disease. It is interesting that niacin deficiency can also, rarely, result from vitamin B6 deficiency (see Vitamin B6 section). Niacin, but not niacinamide, is also one of the few vitamins that are useful in the treatment of diseases unrelated to deficiencies.
[Metabolism]

Nicotinamide is ingested in food as part of pyridine nicotinamide adenine dinucleotide (NAD) and nicotinamide adenine dinucleotide phosphate (NADP) in plant and animal tissues. After the co?enzymes have separated, nicotinamide is absorbed almost completely in the small intestine. After absorption, nicotinamide is stored as NAD in the liver and excretion occurs via kidneys. Tryptophan is converted to nicotinamide through kynurenine?anthranilate pathway in the liver. Tryptophan can thus satisfy the requirement for dietary nicotinic acid.
[Purification Methods]

Crystallise niacin from *benzene. It has solubility in g/ml: H2O (1), EtOH (0.7) and glycerol (0.1). [Methods in Enzymology 66 23 1980, UV: Armarego Physical Methods in Heterocyclic Chemistry (Ed Katritzky, Academic Press) Vol III 83 1971, Beilstein 22 III/IV 389, 22/2 V 80.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Pyridinecarboxamide(98-92-0).msds
Questions And AnswerBack Directory
[description]

Nicotinamide aka Vitamin B3 (niacinamide, nicotinic acid amide) is the pyridine 3 carboxylic acid amide form of niacin. It is a water‑soluble vitamin that is not stored in the body. The main source of vitamin in diet is in the form of nicotinamide, nicotinic acid, and tryptophan. The main source of niacin include meat, liver, green leafy vegetables, wheat, oat, palm kernel oil, legumes, yeast, mushrooms, nuts, milk, fish, tea, and coffee.
The recommended daily dose of vitamin B3 in niacin equivalent
The recommended daily dose of vitamin B3 in niacin equivalent is given in Table 1.
Nicotinamide is a component of coenzyme I (nicotinamide adenine dinucleotide, NADP) and coenzyme II (nicotinamide adenine dinucleotide phosphate, NADP). The nicotinamide part of these two coenzyme structures in human body has reversible hydrogenation and dehydrogenation characteristics, It plays a hydrogen transfer role in biological oxidation, can promote tissue respiration, biological oxidation process and metabolism, and is of great significance to maintain the integrity of normal tissues, especially skin, digestive tract and nervous system. When lacking, pellagra is caused by the influence of cell respiration and metabolism.
[Chemical Properties]

It is white needle crystal or crystalline powder, no smell or odor slightly, slightly bitter taste. The relative density is 1.4, melting point is 131-132 ℃.1 g of the above the product is soluble in 1 ml of water, 1.5 ml ethanol or 10 ml glycerin, insoluble in ether. The pH of 10% aqueous solution is 6.5-7.5. in dry air to light and heat stability, in alkaline or acidic solution, heating generation to nicotinic acid. Rats by oral LD502.5-3.5g/kg ADI value does not make special provisions (ECC, 1990)
[Uses]

Nicotinamide is a water-soluble B complex vitamin which is naturally present in animal products, whole cereals and legumes. Together with nicotinic acid (niacin), it belongs to vitamin B3 or vitamin PP, and is required as a nutrient to prevent the niacin deficiency disorder pellagra. It functions as a coenzyme or cosubstrate in many biological reduction and oxidation reactions required for energy metabolism in mammalian systems. It is used as a nutritional supplement, therapeutic agent, skin and hair conditioning agent in cosmetics, and a constituent of consumer household solvent and cleaning products and paints. Nicotinamide is approved for use by the FDA as a food additive to enrich corn meal, farina, rice, and macaroni and noodle products. It is also affirmed as GRAS (Generally Recognized as Safe) by the FDA as a direct human food ingredient which includes its use in infant formula. It is approved for use in pesticide products applied to growing crops only as a synergist with a maximum limitation of 0.5% of formulation.
[Toxicity]

LD50 2.5~3.5 g/kg (rats, through the mouth).
GRAS(FDA,§182.5535,2000).
ADI is no special regulation (EEC, 1990).
[Synthesis]

1.β-methyl pyridine is oxidized to nicotinic acid by air, and the latter is produced by the action of ammonium hydroxide, and then heating and dehydration.
2.Nicotinic acid, boric acid and ammonia into reaction pot, stirring at the condition of ammonia gas, heating dissolution; then distilled ammonia recovery, to 120℃ after the immigration dewatering pot continues to enrich; when the temperature reached 145 ℃, start adding liquid ammonia, and in 185 to 190℃ to ammonia reaction 20~30h. And then cooled to 130℃, diluted with distilled water, activated carbon was added, and in 70~80℃through ammonia decolorization 2h; reaction after filtered, , filtrate in 24 hours after analysis of cold water, fractional crystallization and washing with ethanol, and drying to obtain the finished product. The yield was 89%.
3. From the nicotinic acid and ammonia react into salt and then dehydrated.
Spectrum DetailBack Directory
[Spectrum Detail]

Nicotinamide(98-92-0)MS
Nicotinamide(98-92-0)1HNMR
Nicotinamide(98-92-0)13CNMR
Nicotinamide(98-92-0)IR1
Nicotinamide(98-92-0)IR2
Nicotinamide(98-92-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Nicotinamide, 99%(98-92-0)
[Alfa Aesar]

Nicotinamide, 99%(98-92-0)
[Sigma Aldrich]

98-92-0(sigmaaldrich)
[TCI AMERICA]

Nicotinamide,>99.0%(LC)(T)(98-92-0)
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