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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N
Molecular Weight 103.1213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenyl isocyanide

SMILES

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

InChI

InChIKey=RCIBIGQXGCBBCT-UHFFFAOYSA-N
InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H

HIDE SMILES / InChI

Molecular Formula C7H5N
Molecular Weight 103.1213
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 19:35:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:12 GMT 2025
Record UNII
DS3UDW47UG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenylisocyanide
Preferred Name English
Phenyl isocyanide
Systematic Name English
Isocyanobenzene
Systematic Name English
Benzene, isocyano-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50239267
Created by admin on Tue Apr 01 19:35:12 GMT 2025 , Edited by admin on Tue Apr 01 19:35:12 GMT 2025
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FDA UNII
DS3UDW47UG
Created by admin on Tue Apr 01 19:35:12 GMT 2025 , Edited by admin on Tue Apr 01 19:35:12 GMT 2025
PRIMARY
PUBCHEM
13606
Created by admin on Tue Apr 01 19:35:12 GMT 2025 , Edited by admin on Tue Apr 01 19:35:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-239-2
Created by admin on Tue Apr 01 19:35:12 GMT 2025 , Edited by admin on Tue Apr 01 19:35:12 GMT 2025
PRIMARY
CAS
931-54-4
Created by admin on Tue Apr 01 19:35:12 GMT 2025 , Edited by admin on Tue Apr 01 19:35:12 GMT 2025
PRIMARY