chempirical

3-Bromo-5-(trifluoromethyl)toluene

C8H6BrF3CAS 86845-28-5239.04 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
86845-28-5
SMILES
CC1=CC(=CC(=C1)Br)C(F)(F)F
InChIKey
ZDAIYLXHTGIUGY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3

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Names and synonyms

1 names
  • 3-Bromo-5-methylbenzotrifluoride

Work with 3-Bromo-5-(trifluoromethyl)toluene

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

1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-168 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-368 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-268 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-657 % similar 3,5-Dibromotoluene1611-92-356 % similar 5-Bromo-M-xylene556-96-756 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-355 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-650 % 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 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-6 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-4

Elsewhere

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