chempirical

Chloroxylenol

C8H9ClOCAS 88-04-0156.61 g/mol

Open in Covalent MOL file
OHCl
Aryl halidePhenol

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Density
0.89 g/mL (at 20 °C)
Melting point
115 °C
Boiling point
246 °C
logP
2.66Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
88-04-0
SMILES
Cc1cc(O)cc(C)c1Cl
InChIKey
OSDLLIBGSJNGJE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

Weigh it out

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

Names and synonyms

31 names · show all
  • Phenol, 4-chloro-3,5-dimethyl-
  • 3,5-Xylenol, 4-chloro-
  • 4-Chloro-3,5-dimethylphenol
  • Benzytol
  • 2-Chloro-5-hydroxy-1,3-dimethylbenzene
  • 2-Chloro-5-hydroxy-m-xylene
  • Ottasept
  • PCMX
  • Dettol
  • Espadol
  • 4-Chloro-m-xylenol
  • Husept extra
  • Ottasept extra
  • RBA 777
  • 4-Chloro-3,5-xylenol
  • p-Chloro-m-xylenol
  • Desson
  • p-Chloro-3,5-xylenol
  • Camel
  • Camel (pesticide)
  • Hokubarine E 400
  • Finecide C 2000
  • Nipacide PX
  • Parametaxylenol
  • NSC 4971
  • 4-Chloro-5,3-dimethylphenol
  • Dettol (biocide)
  • Ecotru
  • 2,6-Dimethyl-4-hydroxy-1-chlorobenzene
  • 3,5-Dimethyl-p-chlorophenol
  • Nipacide PX-R

Work with Chloroxylenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloromesitylene1667-04-557 % similar 2,6-Dimethylhydroquinone654-42-257 % similar 4-Amino-3,5-dimethylphenol3096-70-654 % similar 4-Iodo-3,5-dimethyl-phenol80826-86-454 % similar 4-Bromo-3,5-dimethylphenol7463-51-652 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-852 % similar P-Chlorocresol59-50-752 % similar 2,4-Dichloro-3,5-dimethylphenol133-53-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (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

Elsewhere

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