2-Bromo-5-methoxyphenol

C₇H₇BrO₂CAS 63604-94-4203.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol

Properties

Molecular formula: C₇H₇BrO₂
Molar mass: 203.03 g/mol
Exact mass: 201.9629 Da
Melting point: 152 °C
logP: 2.16Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 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

63604-94-4

SMILES

COc1ccc(Br)c(O)c1

InChIKey

KHGMUWBYGFWGCZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

2 names

Phenol, 2-bromo-5-methoxy-
4-Bromo-3-hydroxyanisole

Work with 2-Bromo-5-methoxyphenol

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-2,4-dimethoxybenzene17715-69-460 % similar 2,5-Dimethoxyphenol18113-18-360 % similar 4-Bromo-3-methylanisole27060-75-958 % similar 2-Bromo-5-methoxybenzenamine59557-92-558 % similar 2-Chloro-4-methoxyphenol18113-03-656 % similar 2-Chloro-5-methoxyphenol18113-04-756 % similar 4-Bromo-3-fluoroanisole408-50-456 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-methoxyphenol102127-34-4 2-Bromo-4-methoxyphenol17332-11-5 5-Bromo-2-hydroxybenzyl alcohol2316-64-5 2-Bromo-5-(hydroxymethyl)phenol2737-19-1 3-Bromo-4-hydroxybenzenemethanol29922-56-3 5-Bromo-2-methoxyphenol37942-01-1 4-Bromo-2-methoxyphenol7368-78-7

Elsewhere

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