2,6-Dichlorophenol
Properties
- Molecular formula
- C6H4Cl2O
- Molar mass
- 163.00 g/mol
- Exact mass
- 161.9639 Da
- Density
- 1.653 g/mL (at 20 °C)
- Melting point
- 68.5 °C
- Boiling point
- 220 °C
- pKa
- 6.79 (25 °C)
- Water solubility
- 1.9 g/L (25 °C)
- logP
- 2.70Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage69.4% of notifiers
- H411 Toxic to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501
Identifiers
CAS number
87-65-0SMILES
Oc1c(Cl)cccc1ClInChIKey
HOLHYSJJBXSLMV-UHFFFAOYSA-NInChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Phenol, 2,6-dichloro-
- NSC 60647
Reactions
Work with 2,6-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-Chloro-6-fluorophenol2040-90-664 % similar
2-Amino-6-chlorophenol38191-33-264 % similar
2-Chloro-6-methylphenol87-64-964 % similar
2,4,6-Trichlorophenol88-06-260 % similar
2,6-Dichloro-4-methylphenol2432-12-457 % similar
2,3,6-Trichlorophenol933-75-557 % similar
3-Chloro-2-hydroxy-benzaldehyde1927-94-256 % similar
4-Bromo-2,6-dichlorophenol3217-15-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.