chempirical

Hexachlorophene

C13H6Cl6O2CAS 70-30-4406.89 g/mol

Open in Covalent MOL file
HOClClClOHClClCl
Aryl halidePhenol

Properties

Molecular formula
C13H6Cl6O2
Molar mass
406.89 g/mol
Exact mass
403.8499 Da
Melting point
164–165 °C
Boiling point
479 °C
logP
6.61Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
70-30-4
SMILES
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
InChIKey
ACGUYXCXAPNIKK-UHFFFAOYSA-N
InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2

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

Names and synonyms

43 names · show all
  • Phenol, 2,2′-methylenebis[3,4,6-trichloro-
  • 2,2′-Methylenebis[3,4,6-trichlorophenol]
  • AT 7
  • G 11 (Bactericide)
  • Almederm
  • Bis(3,5,6-trichloro-2-hydroxyphenyl)methane
  • 2,2′-Dihydroxy-3,3′,5,5′,6,6′-hexachlorodiphenylmethane
  • 2,2′-Dihydroxy-3,5,6,3′,5′,6′-hexachlorodiphenylmethane
  • Exofene
  • Fostril
  • Gamophen
  • Gamophene
  • Germa-medica
  • Hexachlorophen
  • Hexophene
  • Hexosan
  • Septisol
  • Steral
  • Surgi-cen
  • Surofene
  • Nabac
  • Bis(2-hydroxy-3,5,6-trichlorophenyl)methane
  • Neosept V
  • pHisoHex
  • Cotofilm
  • 2,2′,3,3′,5,5′-Hexachloro-6,6′-dihydroxydiphenylmethane
  • B 32
  • Ritosept
  • Hexachlorofen
  • Acigena
  • Tersaseptic
  • Hexabalm
  • Septofen
  • Hexafen
  • Steraskin
  • Distodin
  • Fesia-sin
  • G 11
  • Dermadex
  • Bilevon
  • Soy-dome
  • NSC 49115
  • NSC 9887

Work with Hexachlorophene

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

2,3,4,6-Tetrachlorophenol58-90-262 % similar 2,3,5,6-Tetrachlorophenol935-95-560 % similar 2,3,5-Trichloro-6-hydroxybenzoic acid40932-60-346 % similar Pentachlorobenzene608-93-544 % similar 3,4,5-Trichlorophenol609-19-843 % similar 2,4,6-Trichlorophenol88-06-243 % similar 2,6-Dichloro-4-methylphenol2432-12-441 % similar 2,3,6-Trichlorophenol933-75-541 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook