3,4-Dichlorophenol

C₆H₄Cl₂OCAS 95-77-2163.00 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
Melting point: 68 °C
Boiling point: 253 °C
logP: 2.70Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

95-77-2

SMILES

Oc1ccc(Cl)c(Cl)c1

InChIKey

WDNBURPWRNALGP-UHFFFAOYSA-N

InChI

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

Weigh 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 4-Amino-3-chlorophenol17609-80-260 % similar 3-Chloro-4-fluorophenol2613-23-260 % similar 4-Chloro-3-fluorophenol348-60-760 % similar P-Chlorocresol59-50-760 % similar 3-Chloro-4-methylphenol615-62-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dichlorophenol120-83-2 2,3-Dichlorophenol576-24-9 2,5-Dichlorophenol583-78-8 3,5-Dichlorophenol591-35-5 2,6-Dichlorophenol87-65-0

Elsewhere

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