2,2'-Methylenebis(4-chlorophenol)

C₁₃H₁₀Cl₂O₂CAS 1322-43-6269.12 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₃H₁₀Cl₂O₂
Molar mass: 269.12 g/mol
Exact mass: 268.0058 Da
Melting point: 177–178 °C
pKa: 7.6, 11.6
Water solubility: 30 mg/L (25 °C)
logP: 4.00Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H319 Causes serious eye irritationSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-019-00-0), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

1322-43-6

SMILES

C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O

InChIKey

MDNWOSOZYLHTCG-UHFFFAOYSA-N

InChI

InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

Weigh it out

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

Names and synonyms

1 names

Dichlorophen

Work with 2,2'-Methylenebis(4-chlorophenol)

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dichlorophen97-23-4

Similar compounds

Chlorophene120-32-172 % similar 5-Chloro-2-hydroxybenzenemethanol5330-38-170 % similar 2-Allyl-4-chlorophenol13997-73-461 % similar 4-Chlorocatechol2138-22-960 % similar 2,7-Dichlorofluorene7012-16-058 % similar 2,4-Dichlorophenol120-83-256 % similar 4-Chloro-2-methylphenol1570-64-552 % similar 4-Chloro-2-fluorophenol348-62-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bis(p-chlorophenoxy)methane555-89-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook