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

C8H3BrF6CAS 327-75-3293.01 g/mol

Open in Covalent MOL file
FFFBrFFF
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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

4-Bromo-3-fluorobenzotrifluoride40161-54-464 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-264 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-562 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-960 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-060 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-060 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-260 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-060 % 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 2,5-Bis(trifluoromethyl)bromobenzene7617-93-8

Elsewhere

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