1-Bromo-4-(difluoromethoxy)benzene

C₇H₅BrF₂OCAS 5905-69-1223.02 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

H226 Flammable liquid and vapor95.7% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5905-69-1

SMILES

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

InChIKey

ORIYZUFTROJBQJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-(Difluoromethoxy)bromobenzene

Work with 1-Bromo-4-(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

4-(Difluoromethoxy)phenol87789-47-762 % similar 3-(Difluoromethoxy)bromobenzene262587-05-359 % similar (Difluoromethoxy)benzene458-92-456 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar Alpha,alpha-Difluoro-p-methylanisole1583-83-156 % similar 4-(Difluoromethoxy)aniline22236-10-856 % similar 4-(Difluoromethoxy)benzyl bromide3447-53-855 % similar p-(Difluoromethoxy)benzaldehyde73960-07-352 % 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-2-(difluoromethoxy)benzene175278-33-8 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

Elsewhere

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