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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrF3
Molecular Weight 239.032
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Bromomethyl)-3-(trifluoromethyl)benzene

SMILES

FC(F)(F)C1=CC(CBr)=CC=C1

InChI

InChIKey=MYYYZNVAUZVXBO-UHFFFAOYSA-N
InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6BrF3
Molecular Weight 239.032
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 Tue Apr 01 18:29:44 GMT 2025
Edited
by admin
on Tue Apr 01 18:29:44 GMT 2025
Record UNII
AQW68T8KB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Trifluoromethyl)benzyl bromide
Preferred Name English
1-(Bromomethyl)-3-(trifluoromethyl)benzene
Systematic Name English
m-Xylene, ??-bromo-?,?,?-trifluoro-
Systematic Name English
m-(Trifluoromethyl)benzyl bromide
Systematic Name English
??-Bromo-?,?,?-trifluoro-m-xylene
Systematic Name English
Benzene, 1-(bromomethyl)-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
AQW68T8KB6
Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025
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EPA CompTox
DTXSID90193192
Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
206-938-9
Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025
PRIMARY
CAS
402-23-3
Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025
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PUBCHEM
123061
Created by admin on Tue Apr 01 18:29:44 GMT 2025 , Edited by admin on Tue Apr 01 18:29:44 GMT 2025
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