4,6-Dichlororesorcinol

C6H4Cl2O2CAS 137-19-9179.00 g/mol

Open in Covalent MOL file
HOOHClCl
Aryl halidePhenol

Properties

Molecular formula
C6H4Cl2O2
Molar mass
179.00 g/mol
Exact mass
177.9588 Da
Melting point
113 °C
Boiling point
254 °C
logP
2.40Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
137-19-9
SMILES
Oc1cc(O)c(Cl)cc1Cl
InChIKey
GRLQBYQELUWBIO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H

Weigh it out

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Names and synonyms

6 names
  • 1,3-Benzenediol, 4,6-dichloro-
  • Resorcinol, 4,6-dichloro-
  • 4,6-Dichloro-1,3-benzenediol
  • 4,6-Dichlororesorcin
  • 1,5-Dichloro-2,4-dihydroxybenzene
  • NSC 60650

Work with 4,6-Dichlororesorcinol

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

2,4,5-Trichlorophenol95-95-482 % similar 5-Amino-2,4-dichlorophenol39489-79-764 % similar 4-Bromo-2,5-dichlorophenol1940-42-759 % similar 4-Amino-2,5-dichlorophenol50392-39-757 % similar 5-Bromo-2-chlorophenol183802-98-454 % similar 2-Chlorophenol95-57-852 % similar 2,4-Dichlorophenol120-83-252 % similar 2,5-Dichlorophenol583-78-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichlorohydroquinone824-69-1

Elsewhere

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