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Nicotinanilide

Nicotinanilide structure

CAS No:
1752-96-1
Formula:
C12H10N2O
Chemical Name:
Nicotinanilide
Synonyms:
3-Pyridinecarboxamide,N-phenyl-;Nicotinanilide;N-Phenyl-3-pyridinecarboxamide;N-Phenylnicotinamide;3-Pyridylcarboxanilide;3-Phenylaminocarbonylpyridine;NSC 108206
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow Crystalline Solid

Nicotinanilide Basic Attributes

Molecular Weight：

198.22

Exact Mass：

198.22

BRN：

142066

EC Number：

217-138-4

NSC Number：

108206

DSSTox ID：

DTXSID10169950

HScode：

2933399090

Characteristics

PSA：

XLogP3：

1.73

Density：

1.227±0.06 g/cm3(Predicted)

Melting Point：

124-126 °C

Boiling Point：

265.8±13.0 °C(Predicted)

Flash Point：

114.5±19.8 °C

Refractive Index：

1.650

Water Solubility：

8.07e-04 M

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

nicotinanilide

Computed Properties

Molecular Weight:198.22
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.079312947
Monoisotopic Mass:198.079312947
Topological Polar Surface Area:42
Heavy Atom Count:15
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes