3-Bromo-4-methylphenol

C7H7BrOCAS 60710-39-6187.04 g/mol

Open in Covalent MOL file
OHBr
Aryl halidePhenol

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
logP
2.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
60710-39-6
SMILES
CC1=C(C=C(C=C1)O)Br
InChIKey
GMZKNRDHSHYMHG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

Weigh it out

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

Work with 3-Bromo-4-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

2,4-Dibromo-1-methylbenzene31543-75-662 % similar 3,4-Xylenol95-65-860 % similar 4-Methylresorcinol496-73-156 % similar Bromo-p-xylene553-94-656 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar 3,5-Dibromo-4-methylphenol13979-81-252 % similar 4-Bromo-3,5-dimethylphenol7463-51-652 % similar 3-Bromo-4-chlorophenol13659-24-052 % 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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