4-Bromo-3-methylphenol

C₇H₇BrOCAS 14472-14-1187.04 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₇BrO
Molar mass: 187.04 g/mol
Exact mass: 185.9680 Da
Melting point: 63.5 °C
Boiling point: 123–142 °C (at 20 Torr)
logP: 2.46Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14472-14-1

SMILES

Cc1cc(O)ccc1Br

InChIKey

GPOQODYGMUTOQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

6 names

Phenol, 4-bromo-3-methyl-
m-Cresol, 4-bromo-
4-Bromo-m-cresol
p-Bromo-m-xylenol
2-Bromo-5-hydroxytoluene
3-Methyl-4-bromophenol

Work with 4-Bromo-3-methylphenol

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

3-Bromo-4-methylphenol60710-39-669 % similar 2,5-Dibromotoluene615-59-862 % similar 3,4-Xylenol95-65-860 % similar 4-Bromo-3,5-dimethylphenol7463-51-658 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 4-Bromoresorcinol6626-15-956 % similar Methylhydroquinone95-71-656 % similar 2-Bromo-5-iodotoluene202865-85-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 3-Bromobenzenemethanol15852-73-0 2-Bromobenzyl alcohol18982-54-2 2-Bromo-3-methyl-phenol22061-78-5 4-Bromo-2-methylphenol2362-12-1 3-Bromoanisole2398-37-0 5-Bromo-2-methylphenol36138-76-8

Elsewhere

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