1,3-Dibromo-5-(trifluoromethyl)benzene

C₇H₃Br₂F₃CAS 401-84-3303.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Br₂F₃
Molar mass: 303.90 g/mol
Exact mass: 301.8554 Da
Melting point: 47.4–48 °C
Boiling point: 117–118 °C (at 38 Torr)
logP: 4.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

401-84-3

SMILES

FC(F)(F)c1cc(Br)cc(Br)c1

InChIKey

OFNXSUANJLHGQN-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

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Names and synonyms

4 names

Benzene, 1,3-dibromo-5-(trifluoromethyl)-
Toluene, 3,5-dibromo-α,α,α-trifluoro-
3,5-Dibromobenzotrifluoride
3,5-Dibromo-1-(trifluoromethyl)benzene

Work with 1,3-Dibromo-5-(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-Bromo-3,5-bis(trifluoromethyl)benzene328-70-189 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-671 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-560 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-658 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-757 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-250 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-348 % similar

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

Same formula

1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-2

Elsewhere

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