1-Bromo-2-chloro-3-(trifluoromethyl)benzene

C7H3BrClF3CAS 56131-47-6259.45 g/mol

Open in Covalent MOL file
FFFBrCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrClF3
Molar mass
259.45 g/mol
Exact mass
257.9059 Da
logP
4.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
56131-47-6
SMILES
FC(F)(F)c1cccc(Br)c1Cl
InChIKey
DWTJMEQXGJMZMM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClF3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H

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Names and synonyms

3 names
  • Benzene, 1-bromo-2-chloro-3-(trifluoromethyl)-
  • 1-Bromo-2-chloro-3-trifluoromethylbenzene
  • 3-Bromo-2-chlorobenzotrifluoride

Work with 1-Bromo-2-chloro-3-(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-2-(trifluoromethyl)benzene392-83-662 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-261 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-859 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-157 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-857 % similar 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-657 % similar 2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-356 % similar 1,3-Dibromo-2-chlorobenzene19230-27-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-0 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-7 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-0 5-Bromo-2-chlorobenzotrifluoride445-01-2 3-Bromo-4-chlorobenzotrifluoride454-78-4 4-Bromo-2-chlorobenzotrifluoride467435-07-0 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-1

Elsewhere

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