4-Chloro-2,6-dimethylphenol

C8H9ClOCAS 1123-63-3156.61 g/mol

Open in Covalent MOL file
ClHO
Aryl halidePhenol

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Melting point
83 °C
Boiling point
100–103 °C (at 3 Torr)
logP
2.66Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
1123-63-3
SMILES
Cc1cc(Cl)cc(C)c1O
InChIKey
VWYKSJIPZHRLNO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

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Names and synonyms

5 names
  • Phenol, 4-chloro-2,6-dimethyl-
  • 2,6-Xylenol, 4-chloro-
  • 4-Chloro-2,6-xylenol
  • 2,6-Dimethyl-4-chlorophenol
  • NSC 5785

Work with 4-Chloro-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

2,4-Dichloro-6-methylphenol1570-65-675 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-362 % 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 Poly(P-phenylene oxide)25134-01-452 % similar 2,6-Xylenol576-26-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9 4-(Chloromethyl)benzyl alcohol 9916473-35-1

Elsewhere

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