2-(Trifluoromethoxy)bromobenzene

C₇H₄BrF₃OCAS 64115-88-4241.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄BrF₃O
Molar mass: 241.01 g/mol
Exact mass: 239.9398 Da
logP: 3.35Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor97.9% of notifiers
H315 Causes skin irritation18.8% of notifiers
H319 Causes serious eye irritation18.8% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

64115-88-4

SMILES

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

InChIKey

ITYCJCVRPBLODP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

1 names

1-Bromo-2-(trifluoromethoxy)benzene

Work with 2-(Trifluoromethoxy)bromobenzene

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-Fluoro-2-(trifluoromethoxy)benzene2106-18-559 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-756 % similar 2-Trifluoromethoxyaniline1535-75-755 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-955 % similar 2-(Trifluoromethoxy)thiophenol175278-01-055 % similar 2-Trifluoromethoxyphenol32858-93-855 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-455 % similar 2-(Trifluoromethoxy)benzyl bromide198649-68-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0 4-Bromo-3-(trifluoromethyl)phenol320-49-0 2-Bromo-5-(trifluoromethyl)phenol402-05-1 1-Bromo-4-(trifluoromethoxy)benzene407-14-7 4-Bromo-2-(trifluoromethyl)phenol50824-04-9 2-Bromo-4-(trifluoromethyl)phenol81107-97-3

Elsewhere

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