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

C₇H₃BrClF₃CAS 384-16-7259.45 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

384-16-7

SMILES

C1=CC(=C(C(=C1)Cl)Br)C(F)(F)F

InChIKey

GMUWNTUONIQRFP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClF3/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-chlorobenzotrifluoride

Work with 2-Bromo-1-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

2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-372 % similar 2-Chlorobenzotrifluoride88-16-463 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-360 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-958 % similar 2-Bromo-1,3-dichlorobenzene19393-92-156 % similar 2-Chloro-6-(trifluoromethyl)benzenamine433-94-355 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-0 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-2-chloro-3-(trifluoromethyl)benzene56131-47-6 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-1

Elsewhere

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