ChemicalBook--->CAS DataBase List--->1453-82-3

1453-82-3

1453-82-3 Structure

1453-82-3 Structure
IdentificationMore
[Name]

Isonicotinamide
[CAS]

1453-82-3
[Synonyms]

4-PYRIDINE CARBOXAMIDE
4-PYRIDINECARBOXYLIC ACID AMIDE
AURORA KA-3066
ISONICOTINAMIDE
ISONICOTINIC ACID AMIDE
PYRIDINE-4-CARBOXAMIDE
PYRIDINE-4-CARBOXYLIC ACID AMIDE
4-Carbamoylpyridine
gamma-Pyridinecarboxamide
Isonicotinamide99%
pridine-4-Carboxamide
[EINECS(EC#)]

215-926-2
[Molecular Formula]

C6H6N2O
[MDL Number]

MFCD00006432
[Molecular Weight]

122.12
[MOL File]

1453-82-3.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

155-157 °C(lit.)
[Boiling point ]

227.52°C (rough estimate)
[density ]

1.2236 (rough estimate)
[refractive index ]

1.5350 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

pK1: 3.61(+1) (20°C)
[color ]

White to Off-White
[Water Solubility ]

191.7 g/L (37 ºC)
[BRN ]

2173
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[InChI]

1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
[InChIKey]

VFQXVTODMYMSMJ-UHFFFAOYSA-N
[SMILES]

NC(=O)c1ccncc1
[LogP]

-0.28
[CAS DataBase Reference]

1453-82-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Pyridinecarboxamide(1453-82-3)
[EPA Substance Registry System]

1453-82-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[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 .
[WGK Germany ]

3
[RTECS ]

NR9500000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-(4-Pyridylcarbonyl)benzotriazole-->Isonicotinoyl chloride hydrochloride-->4-Pyridinemethaneamine-->isonicotinamide 1-oxide-->4-Cyanopyridine N-oxide-->4-Acetylpyridine
[Preparation Products]

Forchlorfenuron-->4-Pyridylcarbinol-->3-Amino-4-pyridinecarboxamide-->4-Pyridinealdoxime-->Isonipecotamide-->4-Pyridinecarboxamide,2-(hydroxymethyl)-(9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isonicotinamide(1453-82-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Application]

Isonicotinamide (pyridine-4-carboxamide) can be used as a heterocyclic building block to synthesize:
4-oxo-1,3-thiazinan-3-yl isonicotinamide derivatives as potential anti-tubercular agents.
Organotin(IV) complexes of isonicotinamide via synthesis of phosphoramidate ligands for various biological activity studies.
Bis-pyridinium isonicotinamide derivatives of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide as potent reactivators sarin.
Isonicotinamide can also be used as a co-former with active pharmaceutical ingredients (APIs) to prepare co-crystals.
[Uses]

Isonicotinamide is an isomeric analogue of nicotinamide and a metabolite of isonicotinic thioamide. Isonicotinamide strongly inducde apoptosis in human acute myelomonocytic leukemia cells, HL-60.
[Definition]

ChEBI: A pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid.
[Preparation]

synthesis of isonicotinamide: In 6g tert-amyl alcohol, add 100mg ferric oxide, 100mg cobalt tetroxide and 100mg manganese dioxide (mass percentage in the mixture: 4.6%), 60mg 4-cyanopyridine (mass percentage in the mixture: 0.91%), 200uL Water (mass percentage in the mixture: 3.0%), mix well; react at 80°C for 24 hours, the conversion rate of 4-cyanopyridine is 99.0%, and the selectivity of the corresponding Isonicotinamide is 99.0%.
[Purification Methods]

Recrystallise isonicotinamide from hot water or isopropanol (158.5-159o), and dry it in a vacuum at 100o. The picrate crystallises from aqueous EtOH or H2O and has m 217-218o (214-215o). [Beilstein 22 III/IV 527, 22/2 V 195.]
Spectrum DetailBack Directory
[Spectrum Detail]

Isonicotinamide(1453-82-3)MS
Isonicotinamide(1453-82-3)1HNMR
Isonicotinamide(1453-82-3)IR1
Isonicotinamide(1453-82-3)IR2
Isonicotinamide(1453-82-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isonicotinamide, 99%(1453-82-3)
[Alfa Aesar]

Isonicotinamide, 99%(1453-82-3)
[Sigma Aldrich]

1453-82-3(sigmaaldrich)
[TCI AMERICA]

Isonicotinamide,>99.0%(T)(1453-82-3)
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