4-Cyanobenzohydrazide

HCID 456732

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Basic information

CAS: 43038-36-4
Standard SMILES: N#Cc1ccc(C(=O)NN)cc1
InChIKey: PJWRZYGGTHXGQO-UHFFFAOYSA-N
Molecular formula: C8H7N3O
Average molar mass: 161.16 g/mol
Monoisotopic mass: 161.05891184

Names & identifiers

Preferred name: 4-Cyanobenzohydrazide
IUPAC: 4-cyanobenzohydrazide
English name: Benzoic acid, 4-cyano-, hydrazide (9CI)
Molecular formula: C8H7N3O
Molecular weight: 161.16

Names & synonyms

4-cyanobenzohydrazide43038-36-4DTXSID30332442RefChem:98651DTXCID20283535801-759-84-Cyanobenzoylhydrazine4-cyanobenzhydrazideBenzoic acid, 4-cyano-, hydrazide (9CI)MFCD030145034CNPhCON24-cyano-benzohydrazide

Show more names

4-cyano-benzhydrazide4-cyanobenzoic hydrazide4-Cyan-benzoesaeure-hydrazid4-cyanobenzoic acid hydrazideBenzoic acid, 4-cyano-, hydrazideBenzoic acid, p-cyano-, hydrazide4-cyanobenzohydrazide(SALTDATA: FREE)

SCHEMBL2216534-cyano-benzoic acid hydrazide4-Cyanobenzoic acid, hydrazide4-???benzenecarbonitrilePJWRZYGGTHXGQO-UHFFFAOYSA-NALBB-005868STK503581AKOS002657037

Database identifiers

CAS: 43038-36-4
PubChem CID: 456732
DTXSID: DTXSID30332442
EC Number: 801-759-8
Nikkaji: J1.369.124J

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 210

Physicochemical properties

Melting point: 202 · 202-203 °C
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 11 · 11+-.0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H302-H312-H332
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H302-H312-H332
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501