CAS 368426-73-7 4-Aminomethyl-2-fluoro-benzonitrile (HCID 21904652)

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Basic information

CAS: 368426-73-7
Standard SMILES: N#Cc1ccc(CN)cc1F
InChIKey: QREAXVRKRXUJKQ-UHFFFAOYSA-N
Molecular formula: C8H7FN2
Average molar mass: 150.15 g/mol
Monoisotopic mass: 150.05932644

Names & identifiers

Preferred name: 4-Aminomethyl-2-fluoro-benzonitrile
IUPAC: 4-(aminomethyl)-2-fluorobenzonitrile
English name: 4-(Aminomethyl)-2-fluorobenzonitrile
Molecular formula: C8H7FN2
Molecular weight: 150.15

Names & synonyms

4-Aminomethyl-2-fluoro-benzonitrileRefChem:518244800-669-64-(Aminomethyl)-2-fluorobenzonitrile368426-73-74-Aminomethyl-2-fluorobenzonitrileMFCD06658314Benzonitrile, 4-(aminomethyl)-2-fluoro-4-(aminomethyl)-2-fluoro-benzonitrileBenzonitrile, 4-(aminomethyl)-2-fluoro- (9CI)SCHEMBL3158141CHEMBL4564109

Show more names

DTXSID80619816QREAXVRKRXUJKQ-UHFFFAOYSA-NCS-B0326AKOS006292075SB36857AS-30168SY239628DB-069453

Database identifiers

CAS: 368426-73-7
PubChem CID: 21904652
DTXSID: DTXSID80619816
ChEMBL: CHEMBL4564109
EC Number: 800-669-6

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 172

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HS Code: 2926907090 · 2926907090

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)

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

Safety data

hs_code: 2926907090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501