1,3-Dibromo-5-(trifluoromethoxy)benzene

C₇H₃Br₂F₃OCAS 207226-31-1319.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃Br₂F₃O
Molar mass: 319.90 g/mol
Exact mass: 317.8503 Da
logP: 4.11Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

207226-31-1

SMILES

C1=C(C=C(C=C1Br)Br)OC(F)(F)F

InChIKey

UKHOUWWEEAOCTI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H

Weigh it out

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

Work with 1,3-Dibromo-5-(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-Bromo-5-(trifluoromethoxy)benzaldehyde886498-07-365 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-064 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-762 % similar 3-Bromo-5-(trifluoromethoxy)benzoicacid453565-90-761 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-953 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-647 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-445 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook