Benzamide, N-cyano-

HCID 84805

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Basic information

CAS: 15150-25-1
Standard SMILES: N#CNC(=O)c1ccccc1
InChIKey: DBFAKALHTSOYSG-UHFFFAOYSA-N
Molecular formula: C8H6N2O
Average molar mass: 146.15 g/mol
Monoisotopic mass: 146.04801281

Names & identifiers

Preferred name: Benzamide, N-cyano-
IUPAC: N-cyanobenzamide
English name: N-cyanobenzamide
Molecular formula: C8H6N2O
Molecular weight: 146.15

Names & synonyms

N-Cyanobenzamide15150-25-1Benzamide, N-cyano-EINECS 239-210-4NSC 48654DTXSID4065862RefChem:117155DTXCID3034903239-210-4benzoylcyanamidebenzoyl cyanamideMFCD00158929

Show more names

Benzamide, N-cyano- (8CI,9CI)

NSC-48654N-cyano-benzamideN-BenzoylcyanamideH5GU9QY9KMOprea1_807948CHEMBL57018SCHEMBL262369SCHEMBL1333944

Database identifiers

CAS: 15150-25-1
PubChem CID: 84805
DTXSID: DTXSID4065862
ChEMBL: CHEMBL57018
UNII: H5GU9QY9KM
EC Number: 239-210-4
Nikkaji: J218.358G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 141 · 141-142 °C
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 6.46 · 6.46±0.46(Predicted)
Appearance: White to off-white Solid
FDA UNII: 5 GU9QY9KM · H5GU9QY9KM
EPA Substance Registry System: Benzamide, N-cyano- (15150-25-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501