2,4,6-Trichlorophenol
Properties
- Molecular formula
- C6H3Cl3O
- Molar mass
- 197.44 g/mol
- Exact mass
- 195.9249 Da
- Density
- 1.49 g/mL
- Melting point
- 69 °C
- Boiling point
- 246 °C
- pKa
- 6.23 (25 °C)
- Flash point
- 99 °C (closed cup)
- Water solubility
- 500 mg/L (25 °C)
- logP
- 3.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H351 Suspected of causing cancerCarcinogenicity
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 604-018-00-5), via PubChem.
Precautionary statements
P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
88-06-2SMILES
Oc1c(Cl)cc(Cl)cc1ClInChIKey
LINPIYWFGCPVIE-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 2,4,6-trichloro-
- Dowicide 2S
- Omal
- Phenachlor
- 1,3,5-Trichloro-2-hydroxybenzene
- 2,4,6-TCP
- NSC 2165
- BTS 45186
Work with 2,4,6-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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,4-Dichloro-6-methylphenol1570-65-667 % similar
2-Amino-4,6-dichlorophenol527-62-867 % similar
Bithionol97-18-767 % similar
2,6-Dichlorophenol87-65-060 % similar
3,5-Dichlorosalicylaldehyde90-60-859 % similar
2,6-Dichloro-4-methylphenol2432-12-459 % similar
4-Bromo-2,6-dichlorophenol3217-15-057 % similar
2,6-Dichloro-4-fluorophenol392-71-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.