2,4-Dichlorophenol

C₆H₄Cl₂OCAS 120-83-2163.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄Cl₂O
Molar mass: 163.00 g/mol
Exact mass: 161.9639 Da
Density: 1.383 g/mL (at 60 °C)
Melting point: 45 °C
Boiling point: 210 °C
pKa: 7.89
Flash point: 93.3 °C (closed cup)
Water solubility: 4.5 g/L (20 °C)
logP: 2.70Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-011-00-7), via PubChem.

Precautionary statements

P260, P262, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

120-83-2

SMILES

Oc1ccc(Cl)cc1Cl

InChIKey

HFZWRUODUSTPEG-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Phenol, 2,4-dichloro-
DCP
4,6-Dichlorophenol
1,3-Dichloro-4-hydroxybenzene
2,4-Dichlorophenic acid
2,4-DCP
NSC 2879

Work with 2,4-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

4-Chlorocatechol2138-22-965 % similar 2-Bromo-4-chlorophenol695-96-562 % similar Chlorohydroquinone615-67-860 % similar 4-Bromo-2-chlorophenol3964-56-558 % similar 2-Chloro-4-methylphenol6640-27-358 % similar Triclosan3380-34-557 % similar 1,2,4-Trichlorobenzene120-82-157 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenol576-24-9 2,5-Dichlorophenol583-78-8 3,5-Dichlorophenol591-35-5 2,6-Dichlorophenol87-65-0 3,4-Dichlorophenol95-77-2

Elsewhere

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