2,3,4-Trichlorophenol
Properties
- Molecular formula
- C6H3Cl3O
- Molar mass
- 197.44 g/mol
- Exact mass
- 195.9249 Da
- Melting point
- 83.5 °C
- Boiling point
- 251.7 °C
- Flash point
- 62 °C
- Water solubility
- < 1 g/L (20 °C)
- logP
- 3.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed97.8% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H318 Causes serious eye damage91.1% of notifiers
- H335 May cause respiratory irritation91.1% of notifiers
Aggregated from 45 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
15950-66-0SMILES
Oc1ccc(Cl)c(Cl)c1ClInChIKey
HSQFVBWFPBKHEB-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Phenol, 2,3,4-trichloro-
Work with 2,3,4-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-Dichlorophenol576-24-965 % similar
1,2,3,4-Tetrachlorobenzene634-66-263 % similar
2,3,4,5-Tetrachlorophenol4901-51-358 % similar
3-Amino-2,4-dichlorophenol hydrochloride61693-43-455 % similar
2-Chlororesorcinol6201-65-655 % similar
2,4-Dichloro-3-nitrophenol38902-87-350 % similar
4-Chloro-1-naphthol604-44-448 % similar
B-(2,3,4-Trichlorophenyl)boronic acid352530-21-346 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.