4-Bromo-3,5-dimethylphenol

C8H9BrOCAS 7463-51-6201.06 g/mol

Open in Covalent MOL file
OHBr
Aryl halidePhenol

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Melting point
116 °C
logP
2.77Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 76 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
7463-51-6
SMILES
Cc1cc(O)cc(C)c1Br
InChIKey
WMUWDPLTTLJNPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

Weigh it out

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Names and synonyms

6 names
  • Phenol, 4-bromo-3,5-dimethyl-
  • 3,5-Xylenol, 4-bromo-
  • 4-Bromo-3,5-xylenol
  • NSC 404385
  • 3,5-Dimethyl-4-bromophenol
  • 2-Bromo-3-methyl-5-hydroxytoluene

Work with 4-Bromo-3,5-dimethylphenol

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-Bromo-3-methylphenol14472-14-158 % similar Mesityl bromide576-83-057 % similar 2,6-Dimethylhydroquinone654-42-257 % similar 4-Amino-3,5-dimethylphenol3096-70-654 % similar 4-Iodo-3,5-dimethyl-phenol80826-86-454 % similar 3,4-Xylenol95-65-854 % similar 2-Bromo-1,3-dimethylbenzene576-22-752 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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