chempirical

2-Methyl-3-(trifluoromethyl)bromobenzene

C8H6BrF3CAS 69902-83-6239.04 g/mol

Open in Covalent MOL file
BrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H6BrF3
Molar mass
239.04 g/mol
Exact mass
237.9605 Da
logP
3.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69902-83-6
SMILES
CC1=C(C=CC=C1Br)C(F)(F)F
InChIKey
OYFKTZQGAWXNTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1-Bromo-2-methyl-3-(trifluoromethyl)benzene

Work with 2-Methyl-3-(trifluoromethyl)bromobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-3-(trifluoromethyl)aniline54396-44-062 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-659 % similar 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene261952-16-358 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-857 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-657 % similar 2,6-Dibromotoluene69321-60-456 % similar 2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-354 % similar 2-Methyl-3-(trifluoromethyl)benzaldehyde878001-20-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-5-methylbenzotrifluoride261952-20-9 2-Trifluoromethylbenzyl bromide395-44-8 3-(Trifluoromethyl)benzyl bromide402-23-3 4-(Trifluoromethyl)benzyl bromide402-49-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-4 3-Bromo-5-(trifluoromethyl)toluene86845-28-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook