2,3,6-Trichlorophenol

C6H3Cl3OCAS 933-75-5197.44 g/mol

Open in Covalent MOL file
OHClClCl
Aryl halidePhenol

Properties

Molecular formula
C6H3Cl3O
Molar mass
197.44 g/mol
Exact mass
195.9249 Da
Density
1.5 g/mL
Melting point
58 °C
Boiling point
272 °C
pKa
5.8
Flash point
79 °C (closed cup)
Water solubility
< 1 g/L (21.1 °C)
logP
3.35Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
933-75-5
SMILES
Oc1c(Cl)ccc(Cl)c1Cl
InChIKey
XGCHAIDDPMFRLJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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Names and synonyms

1 names
  • Phenol, 2,3,6-trichloro-

Work with 2,3,6-Trichlorophenol

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

2,3,5,6-Tetrachlorophenol935-95-559 % similar 1,2,3,4-Tetrachlorobenzene634-66-258 % similar 2,6-Dichlorophenol87-65-057 % similar 2,3,4,6-Tetrachlorophenol58-90-254 % similar 2,3-Dichlorophenol576-24-948 % similar 1,2,3-Trichlorobenzene87-61-648 % similar Tetrachloro-p-hydroquinone87-87-645 % similar 2-Chloro-6-fluorophenol2040-90-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trichlorophenol15950-66-0 3,4,5-Trichlorophenol609-19-8 2,4,6-Trichlorophenol88-06-2 2,3,5-Trichlorophenol933-78-8 2,4,5-Trichlorophenol95-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook