1-Bromo-4-(trifluoromethoxy)benzene

C₇H₄BrF₃OCAS 407-14-7241.01 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

Danger

H302 Harmful if swallowed70.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation83.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled70.9% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

407-14-7

SMILES

FC(F)(F)Oc1ccc(Br)cc1

InChIKey

SEAOBYFQWJFORM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzene, 1-bromo-4-(trifluoromethoxy)-
Anisole, p-bromo-α,α,α-trifluoro-
p-Bromophenyl trifluoromethyl ether
4-Bromophenyl trifluoromethyl ether
p-(Trifluoromethoxy)bromobenzene
p-Bromo(trifluoromethoxy)benzene
4-Trifluoromethoxybromobenzene
4-Bromotrifluoromethoxybenzene
4-Trifluoromethoxy-1-bromobenzene
4-Trifluoromethoxyphenyl bromide
1-Bromo-4-[(trifluoromethyl)oxy]benzene

Work with 1-Bromo-4-(trifluoromethoxy)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

1,3-Dibromo-5-(trifluoromethoxy)benzene207226-31-162 % similar 4-(Trifluoromethoxy)phenol828-27-362 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-959 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % 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 4-Bromo-2-(trifluoromethyl)phenol50824-04-9 2-(Trifluoromethoxy)bromobenzene64115-88-4 2-Bromo-4-(trifluoromethyl)phenol81107-97-3

Elsewhere

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