3-Chloro-4-(methylamino)benzonitrile

HCID 15907754

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Basic information

CAS: 329365-26-6
Standard SMILES: CNc1ccc(C#N)cc1Cl
InChIKey: MWVIHOPQURQBCL-UHFFFAOYSA-N
Molecular formula: C8H7ClN2
Average molar mass: 166.61 g/mol

Names & identifiers

Preferred name: 3-Chloro-4-(methylamino)benzonitrile
IUPAC: 3-chloro-4-(methylamino)benzonitrile

Names & synonyms

3-chloro-4-(methylamino)benzonitrile329365-26-6RefChem:499917988-449-73-chloro-4-methylaminobenzonitrileSCHEMBL988891MWVIHOPQURQBCL-UHFFFAOYSA-N3-chloro-4-methylamino-benzonitrileAKOS012392929EN300-1254604F550929

Database identifiers

CAS: 329365-26-6
PubChem CID: 15907754
EC Number: 988-449-7
Nikkaji: J3.182.820A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 172

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.