4-(Difluoromethoxy)benzyl bromide

C₈H₇BrF₂OCAS 3447-53-8237.04 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₇BrF₂O
Molar mass: 237.04 g/mol
Exact mass: 235.9648 Da
logP: 3.18Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 24 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

3447-53-8

SMILES

C1=CC(=CC=C1CBr)OC(F)F

InChIKey

IFNMJBFIRKAQBT-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrF2O/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2

Weigh it out

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

Work with 4-(Difluoromethoxy)benzyl bromide

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)benzylamine177842-14-760 % similar 4-(Difluoromethoxy)benzyl alcohol659-33-660 % similar 1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-056 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-155 % similar 4-(Difluoromethoxy)phenylacetonitrile41429-16-755 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-950 % similar 2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one141134-24-950 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-ethoxy-2,3-difluorobenzene156573-09-0 3-(Difluoromethoxy)benzyl bromide72768-95-7 2-(Difluoromethoxy)benzyl bromide85684-64-6

Elsewhere

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