3,4-Dichlorophenol
Properties
- Molecular formula
- C6H4Cl2O
- Molar mass
- 163.00 g/mol
- Exact mass
- 161.9639 Da
- Melting point
- 68 °C
- Boiling point
- 253 °C
- pKa
- 8.63
- Water solubility
- 9.26 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
- H302 Harmful if swallowed89.3% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation96.4% of notifiers
- H318 Causes serious eye damage71.4% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 56 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-77-2SMILES
Oc1ccc(Cl)c(Cl)c1InChIKey
WDNBURPWRNALGP-UHFFFAOYSA-NInChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Phenol, 3,4-dichloro-
- 4,5-Dichlorophenol
- NSC 60648
Work with 3,4-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
Chlorohydroquinone615-67-865 % similar
4-Chlororesorcinol95-88-565 % similar
4-Bromo-3-chlorophenol13631-21-560 % similar
3-Bromo-4-chlorophenol13659-24-060 % similar
3-Amino-4-chlorophenol16026-77-060 % similar
4-Amino-3-chlorophenol17609-80-260 % similar
3-Chloro-4-fluorophenol2613-23-260 % similar
4-Chloro-3-fluorophenol348-60-760 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.