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

C₇H₃BrF₄OCAS 168971-68-4259.00 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

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

168971-68-4

SMILES

C1=CC(=C(C=C1OC(F)(F)F)F)Br

InChIKey

KZMHSGBETSENAT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-Bromo-2-fluoro-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

2-Bromo-5-(trifluoromethoxy)phenol205371-26-262 % similar 2-Bromo-5-(trifluoromethoxy)aniline887267-47-262 % similar 4-Bromo-3-fluoroanisole408-50-458 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-458 % similar 2-Bromo-4-(trifluoromethoxy)aniline175278-17-857 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-454 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-452 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-6 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-8

Elsewhere

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