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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 O-TOLUNITRILE

SMILES

CC1=CC=CC=C1C#N

InChI

InChIKey=NWPNXBQSRGKSJB-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3

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

PubMed

PubMed

TitleDatePubMed
Asymmetric synthesis of the protoberberine alkaloid (S)-(-)-xylopinine using enantiopure sulfinimines.
2002 Feb 22
Activation energies for the singlet excited state processes of substituted benzenes: para, meta, and ortho isomers of methylbenzonitrile and methylanisole in acetonitrile.
2004 Jul 28
A reexamination of the adsorption of CO and nitriles on alkali-metal mordenites: characterization of multiple interactions.
2005 Jun 21
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:16 GMT 2023
Record UNII
3048F2A3KT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-TOLUNITRILE
MI  
Common Name English
TOLUNITRILE, O-
Common Name English
2-METHYLBENZONITRILE
Systematic Name English
NSC-66549
Code English
O-TOLUNITRILE [MI]
Common Name English
Code System Code Type Description
NSC
66549
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
MESH
C546559
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
CAS
529-19-1
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
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PUBCHEM
10721
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
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MERCK INDEX
m10967
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
208-451-7
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID6022050
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
FDA UNII
3048F2A3KT
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY