5-Bromo-2-methylphenol

C₇H₇BrOCAS 36138-76-8187.04 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
logP: 2.46Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed13.6% of notifiers
H312 Harmful in contact with skin13.6% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

36138-76-8

SMILES

CC1=C(C=C(C=C1)Br)O

InChIKey

OONJCAWRVJDVBB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Bromo-2-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

4-Methylresorcinol496-73-162 % similar 4-Bromocatechol17345-77-660 % similar 4-Bromo-o-xylene583-71-160 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar 2,5-Dimethylphenol95-87-456 % similar 5-Bromo-2-fluorophenol112204-58-752 % similar 5-Bromo-2-chlorophenol183802-98-452 % similar 4-Bromo-2-iodophenol207115-22-852 % 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 4-Bromo-3-methylphenol14472-14-1 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

Elsewhere

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