2,4-Dibromoanisole

C₇H₆Br₂OCAS 21702-84-1265.93 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
Melting point: 61 °C
Boiling point: 100–102 °C (at 1 Torr)
logP: 3.22Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed71.7% of notifiers
H315 Causes skin irritation28.3% of notifiers
H317 May cause an allergic skin reaction71.7% of notifiers
H319 Causes serious eye irritation28.3% of notifiers
H335 May cause respiratory irritation27.6% of notifiers
H411 Toxic to aquatic life with long lasting effects71.7% of notifiers

Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

21702-84-1

SMILES

COc1ccc(Br)cc1Br

InChIKey

XGXUGXPKRBQINS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, 2,4-dibromo-1-methoxy-
Anisole, 2,4-dibromo-
2,4-Dibromo-1-methoxybenzene
1,5-Dibromo-2-methoxybenzene
1,3-Dibromo-4-methoxybenzene

Work with 2,4-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

Bromoveratrole2859-78-169 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-564 % similar 4-Bromo-2-methylanisole14804-31-062 % similar 2-Bromo-4-methylanisole22002-45-562 % similar 5-Bromo-2-methoxyaniline6358-77-662 % similar 3-Bromo-4-methoxyaniline19056-41-860 % similar 4-Bromo-2-fluoroanisole2357-52-060 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-260 % 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 2,6-Dibromo-4-methylphenol2432-14-6 2,6-Dibromoanisole38603-09-7 2,4-Dibromobenzenemethanol666747-06-4 1,3-Dibromo-5-methoxybenzene74137-36-3

Elsewhere

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