4-Bromo-2,6-dimethylphenol

C₈H₉BrOCAS 2374-05-2201.06 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
Melting point: 79.5 °C
logP: 2.77Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.8% of notifiers
H312 Harmful in contact with skin12.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

2374-05-2

SMILES

Cc1cc(Br)cc(C)c1O

InChIKey

ZLVFYUORUHNMBO-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

Weigh it out

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

Names and synonyms

5 names

Phenol, 4-bromo-2,6-dimethyl-
2,6-Xylenol, 4-bromo-
4-Bromo-2,6-xylenol
2,6-Dimethyl-4-bromophenol
NSC 63922

Work with 4-Bromo-2,6-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-6-chloro-2-cresol7530-27-069 % similar 3,3',5,5'-Tetramethylbiphenyl-4,4'-diol2417-04-159 % similar Mesitol527-60-657 % similar 2,6-Dimethylhydroquinone654-42-257 % similar 4-Iodo-2,6-dimethylphenol10570-67-954 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-554 % similar 4-Chloro-2,6-dimethylphenol1123-63-352 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-852 % 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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