2,3-Dichlorophenol
Properties
- Molecular formula
- C6H4Cl2O
- Molar mass
- 163.00 g/mol
- Exact mass
- 161.9639 Da
- Melting point
- 58 °C
- Boiling point
- 206 °C
- pKa
- 7.7
- Water solubility
- 3.6 g/L (25 °C)
- logP
- 2.70Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed15.7% of notifiers
- H312 Harmful in contact with skin13.7% of notifiers
- H315 Causes skin irritation96.1% of notifiers
- H319 Causes serious eye irritation96.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects15.7% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
576-24-9SMILES
Oc1cccc(Cl)c1ClInChIKey
UMPSXRYVXUPCOS-UHFFFAOYSA-NInChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Phenol, 2,3-dichloro-
- NSC 60646
Work with 2,3-Dichlorophenol
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-Chlororesorcinol6201-65-670 % similar
2,3,4-Trichlorophenol15950-66-065 % similar
2-Chlorophenol95-57-864 % similar
1,2,3-Trichlorobenzene87-61-660 % similar
3-Bromo-2-chlorophenol863870-87-556 % similar
3-Chloro-2-fluorophenol2613-22-154 % similar
3-Chloro-2-methylphenol3260-87-554 % similar
2-Chloro-3-fluorophenol863870-86-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.