1-Bromo-2-(difluoromethoxy)benzene

C₇H₅BrF₂OCAS 175278-33-8223.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₅BrF₂O
Molar mass: 223.02 g/mol
Exact mass: 221.9492 Da
logP: 3.05Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175278-33-8

SMILES

FC(F)Oc1ccccc1Br

InChIKey

VHEICCMNYWNFQX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-bromo-2-(difluoromethoxy)-
2′-(Difluoromethoxy)biphenyl-4-ol
2-(Difluoromethoxy)bromobenzene

Work with 1-Bromo-2-(difluoromethoxy)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-(Difluoromethoxy)benzyl bromide85684-64-660 % similar 1-Bromo-2-(1-methylethoxy)benzene701-07-557 % similar 2-(Difluoromethoxy)aniline22236-04-055 % similar 2-(Difluoromethoxy)benzylamine243863-36-755 % similar (2-(Difluoromethoxy)phenyl)methanol72768-94-655 % similar 2-(Difluoromethoxy)benzonitrile56935-78-552 % similar 2-(Difluoromethoxy)benzaldehyde71653-64-052 % similar 2-(Difluoromethoxy)phenylacetonitrile41429-22-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluoroanisole104197-14-0 4-Bromo-2,6-difluorobenzyl alcohol162744-59-4 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-5 2-Bromo-4,6-difluoroanisole202865-59-6 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-9 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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