4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene

C₇H₃BrF₄OCAS 105529-58-6259.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃BrF₄O
Molar mass: 259.00 g/mol
Exact mass: 257.9303 Da
logP: 3.49Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H227 Combustible liquid28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H400 Very toxic to aquatic life14.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P501

Identifiers

CAS number

105529-58-6

SMILES

Fc1cc(Br)ccc1OC(F)(F)F

InChIKey

SBSFDYRKNUCGBZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-bromo-2-fluoro-1-(trifluoromethoxy)-
1-Bromo-3-fluoro-4-trifluoromethoxybenzene
3-Fluoro-4-trifluoromethoxybromobenzene
4-Bromo-2-fluoro-1-trifluoromethoxybenzene
2-Fluoro-4-bromo-1-(trifluoromethoxy)benzene
4-Bromo-2-fluoro-1-(trifluoromethyloxy)benzene

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

3-Fluoro-4-(trifluoromethoxy)phenol177596-38-265 % similar 5-Bromo-2-(trifluoromethoxy)aniline886762-08-964 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-160 % similar 4-Bromo-2-fluoroanisole2357-52-059 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-859 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-359 % similar 4-Bromo-2-(trifluoromethoxy)thiophenol175278-15-659 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-4 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-8

Elsewhere

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