3,4,5-Trichlorophenol
Properties
- Molecular formula
- C6H3Cl3O
- Molar mass
- 197.44 g/mol
- Exact mass
- 195.9249 Da
- Melting point
- 101 °C
- Boiling point
- 275 °C
- pKa
- 7.84
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 3.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled88.9% of notifiers
- H302 Harmful if swallowed95.6% of notifiers
- H312 Harmful in contact with skin95.6% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H318 Causes serious eye damage88.9% of notifiers
- H332 Harmful if inhaled95.6% of notifiers
- H335 May cause respiratory irritation95.6% of notifiers
- H400 Very toxic to aquatic life91.1% of notifiers
- H410 Very toxic to aquatic life with long lasting effects91.1% 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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
609-19-8SMILES
Oc1cc(Cl)c(Cl)c(Cl)c1InChIKey
GBNHEBQXJVDXSW-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Phenol, 3,4,5-trichloro-
- NSC 243667
Work with 3,4,5-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-Tetrachlorophenol935-95-555 % similar
1,2,3,5-Tetrachlorobenzene634-90-252 % similar
4-Chloro-3,5-difluorophenol2268-03-352 % similar
3,4-Dichlorophenol95-77-252 % similar
2,3,4,5-Tetrachlorophenol4901-51-350 % similar
2,3,4,6-Tetrachlorophenol58-90-250 % similar
Pentachlorobenzene608-93-550 % similar
1,2,3-Trichlorobenzene87-61-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.