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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N
Molecular Weight 117.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOCYANIDE

SMILES

[C-]#[N+]CC1=CC=CC=C1

InChI

InChIKey=RIWNFZUWWRVGEU-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2

HIDE SMILES / InChI

Molecular Formula C8H7N
Molecular Weight 117.1479
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:17:29 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:29 GMT 2025
Record UNII
UEU57DSL26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ISOCYANIDE
Systematic Name English
(ISOCYANOMETHYL)BENZENE
Preferred Name English
BENZENE, (ISOCYANOMETHYL)-
Systematic Name English
BENZYL ISONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
82558
Created by admin on Tue Apr 01 19:17:29 GMT 2025 , Edited by admin on Tue Apr 01 19:17:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID50145819
Created by admin on Tue Apr 01 19:17:29 GMT 2025 , Edited by admin on Tue Apr 01 19:17:29 GMT 2025
PRIMARY
CAS
10340-91-7
Created by admin on Tue Apr 01 19:17:29 GMT 2025 , Edited by admin on Tue Apr 01 19:17:29 GMT 2025
PRIMARY
FDA UNII
UEU57DSL26
Created by admin on Tue Apr 01 19:17:29 GMT 2025 , Edited by admin on Tue Apr 01 19:17:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
233-738-9
Created by admin on Tue Apr 01 19:17:29 GMT 2025 , Edited by admin on Tue Apr 01 19:17:29 GMT 2025
PRIMARY