3-Amino-2-hydroxybenzonitrile

HCID 12468681CAS 67608-57-5

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1cccc(N)c1O
InChIKey: FMQVUWGTHZPXQU-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.04801281

Names & identifiers

Preferred name: 3-Amino-2-hydroxybenzonitrile
IUPAC: 3-amino-2-hydroxybenzonitrile
English name: 3-Amino-2-hydroxybenzonitrile
Molecular formula: C7H6N2O
Molecular weight: 134.14

Names & synonyms

3-AMINO-2-HYDROXYBENZONITRILE67608-57-5MFCD022619423-amino-2-hydroxy-benzonitrile2-amino-6-cyanophenolSCHEMBL105537SCHEMBL29621523DTXSID10499461FMQVUWGTHZPXQU-UHFFFAOYSA-NSCA60857STR04605AKOS006341714

Show more names

(3-Cyano-2-hydroxyphenyl)amineBenzonitrile, 3-amino-2-hydroxy-

AT22558MB02411SY012011EN300-7408572Z1203579159

Database identifiers

CAS: 67608-57-5
PubChem CID: 12468681
DTXSID: DTXSID10499461
Nikkaji: J2.319.909B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Physicochemical properties

form: solid
color: Dark brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-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
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3439 · 3439
HS Code: 2926907090 · 2926907090

Safety & regulation

Safety data

ridadr: 3439
hs_code: 2926907090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302-H312-H315-H319-H332-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