2,6-Dibromoanisole

C₇H₆Br₂OCAS 38603-09-7265.93 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆Br₂O
Molar mass: 265.93 g/mol
Exact mass: 263.8785 Da
logP: 3.22Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

38603-09-7

SMILES

COC1=C(C=CC=C1Br)Br

InChIKey

BMZVDHQOAJUZJL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzene, 1,3-dibromo-2-methoxy-

Work with 2,6-Dibromoanisole

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

1-Bromo-2,3-dimethoxybenzene5424-43-174 % similar 2-Amino-6-bromoanisole116557-46-171 % similar 2-Bromo-6-fluoroanisole845829-94-968 % similar 2,4,6-Tribromoanisole607-99-858 % similar 1-(3-Bromo-2-methoxyphenyl)ethanone267651-23-057 % similar 2-Bromoanisole578-57-454 % similar 1,2,3-Trimethoxybenzene634-36-652 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-152 % similar

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

Same formula

3,5-Dibromo-4-methylphenol13979-81-2 (3,5-Dibromophenyl)methanol145691-59-4 2,4-Dibromoanisole21702-84-1 2,6-Dibromo-4-methylphenol2432-14-6 2,4-Dibromobenzenemethanol666747-06-4 1,3-Dibromo-5-methoxybenzene74137-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook