1-Bromo-2-chloro-4-(trifluoromethyl)benzene

C7H3BrClF3CAS 402-04-0259.45 g/mol

Open in Covalent MOL file
FFFClBr
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 the 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
402-04-0
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)Br
InChIKey
RVTIHGGJJMXISV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1-Bromo-2-chloro-4-trifluoromethyl-benzene

Work with 1-Bromo-2-chloro-4-(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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-561 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-460 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-357 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-956 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % 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 5-Bromo-2-chlorobenzotrifluoride445-01-2 3-Bromo-4-chlorobenzotrifluoride454-78-4 4-Bromo-2-chlorobenzotrifluoride467435-07-0 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-6 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-1

Elsewhere

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