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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6BrNO2
Molecular Weight 216.032
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrobenzyl bromide

SMILES

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

InChI

InChIKey=LNWXALCHPJANMJ-UHFFFAOYSA-N
InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C7H6BrNO2
Molecular Weight 216.032
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 Mon Mar 31 21:46:10 GMT 2025
Edited
by admin
on Mon Mar 31 21:46:10 GMT 2025
Record UNII
4J66R95TMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66499
Preferred Name English
3-Nitrobenzyl bromide
Systematic Name English
3-(Bromomethyl)nitrobenzene
Systematic Name English
?-Bromo-m-nitrotoluene
Systematic Name English
Benzene, 1-(bromomethyl)-3-nitro-
Systematic Name English
3-(Bromomethyl)-1-nitrobenzene
Systematic Name English
1-(Bromomethyl)-3-nitrobenzene
Systematic Name English
?-Bromo-3-nitrotoluene
Systematic Name English
m-(Bromomethyl)nitrobenzene
Systematic Name English
Code System Code Type Description
NSC
66499
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-557-3
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID4063246
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY
CAS
3958-57-4
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY
PUBCHEM
77568
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY
FDA UNII
4J66R95TMJ
Created by admin on Mon Mar 31 21:46:10 GMT 2025 , Edited by admin on Mon Mar 31 21:46:10 GMT 2025
PRIMARY