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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO2
Molecular Weight 137.136
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (Nitromethyl)benzene

SMILES

[O-][N+](=O)CC1=CC=CC=C1

InChI

InChIKey=VLZLOWPYUQHHCG-UHFFFAOYSA-N
InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C7H7NO2
Molecular Weight 137.136
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 19:31:06 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:06 GMT 2025
Record UNII
623BM52N8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Nitromethyl)benzene
Systematic Name English
NSC-3439
Preferred Name English
Benzene, (nitromethyl)-
Systematic Name English
Phenylnitromethane
Common Name English
Toluene, alpha-nitro-
Systematic Name English
alpha-Nitrotoluene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7074294
Created by admin on Tue Apr 01 19:31:06 GMT 2025 , Edited by admin on Tue Apr 01 19:31:06 GMT 2025
PRIMARY
NSC
3439
Created by admin on Tue Apr 01 19:31:06 GMT 2025 , Edited by admin on Tue Apr 01 19:31:06 GMT 2025
PRIMARY
CAS
622-42-4
Created by admin on Tue Apr 01 19:31:06 GMT 2025 , Edited by admin on Tue Apr 01 19:31:06 GMT 2025
PRIMARY
PUBCHEM
69321
Created by admin on Tue Apr 01 19:31:06 GMT 2025 , Edited by admin on Tue Apr 01 19:31:06 GMT 2025
PRIMARY
FDA UNII
623BM52N8A
Created by admin on Tue Apr 01 19:31:06 GMT 2025 , Edited by admin on Tue Apr 01 19:31:06 GMT 2025
PRIMARY