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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOCYANATE

SMILES

O=C=NCC1=CC=CC=C1

InChI

InChIKey=YDNLNVZZTACNJX-UHFFFAOYSA-N
InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Syntheses of puromycin from adenosine and 7-deazapuromycin from tubercidin, and biological comparisons of the 7-aza/deaza pair.
2001 Nov 30
Efficient synthesis of 4,4'-bi-1H-imidazol-2-ones from 5-amino-alpha-imino-1H-imidazole-4-acetonitriles and isocyanates.
2002 Aug 9
Patents
Name Type Language
BENZYL ISOCYANATE
Systematic Name English
NSC-118415
Code English
Code System Code Type Description
EPA CompTox
DTXSID40863116
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-640-9
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY
FDA UNII
8I2LI357GQ
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY
NSC
118415
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY
CAS
3173-56-6
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY
PUBCHEM
76639
Created by admin on Fri Dec 15 19:10:54 GMT 2023 , Edited by admin on Fri Dec 15 19:10:54 GMT 2023
PRIMARY