1-Bromo-2,4-bis(trifluoromethyl)benzene

C₈H₃BrF₆CAS 327-75-3293.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃BrF₆
Molar mass: 293.01 g/mol
Exact mass: 291.9322 Da
Boiling point: 158 °C (at 740 Torr)
logP: 4.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

327-75-3

SMILES

FC(F)(F)c1ccc(Br)c(C(F)(F)F)c1

InChIKey

QDEJWLIKRLJYEK-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H

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Names and synonyms

3 names

Benzene, 1-bromo-2,4-bis(trifluoromethyl)-
2,4-Bis(trifluoromethyl)bromobenzene
2,4-Bis(trifluoromethyl)-1-bromobenzene

Work with 1-Bromo-2,4-bis(trifluoromethyl)benzene

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

1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-264 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-562 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-060 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-260 % similar 2-Bromo-5-trifluoromethylaniline454-79-560 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-656 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-455 % similar 2-Bromo-4-trifluoromethylaniline57946-63-155 % similar

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

Same formula

2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-3 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-1

Elsewhere

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