chempirical

Triclosan

C12H7Cl3O2CAS 3380-34-5289.54 g/mol

Open in Covalent MOL file
OHClOClCl
Aryl halideEtherPhenol

Properties

Molecular formula
C12H7Cl3O2
Molar mass
289.54 g/mol
Exact mass
287.9512 Da
Melting point
54–57.3 °C
Boiling point
50–54 °C
logP
5.14Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
3380-34-5
SMILES
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIKey
XEFQLINVKFYRCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H

Weigh it out

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

Names and synonyms

55 names · show all
  • Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-
  • 5-Chloro-2-(2,4-dichlorophenoxy)phenol
  • 2,4,4′-Trichloro-2′-hydroxydiphenyl ether
  • Irgasan CH 3565
  • Irgasan DP 300
  • 2-Hydroxy-2′,4,4′-trichlorodiphenyl ether
  • 2′,4′,4-Trichloro-2-hydroxydiphenyl ether
  • 2,2′-Oxybis(1′,5′-dichlorophenyl-5-chlorophenol)
  • 4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether
  • CH 3565
  • 2′,4,4′-Trichloro-2-hydroxydiphenyl ether
  • Irgasan
  • 3-Chloro-6-(2,4-dichlorophenoxy)phenol
  • Irgasan DP 3000
  • Zilesan UW
  • THDP
  • Bacti-Stat soap
  • Irgasan DP 30
  • DP 300
  • Irgasan PE 30
  • Irgasan PG 60
  • Irgacide LP 10
  • Microban additive B
  • Ultra-fresh NM 100
  • NM 100
  • Microban B
  • Irgaguard B 1000
  • Tinosan AM 100
  • Tinosan AM 110
  • Yujiexin
  • Vinyzene DP 7000
  • TCCP
  • 2′-Hydroxy-2,4,4′-trichlorodiphenyl ether
  • Irgasan DP 400
  • Oletron
  • Cansan TCH
  • SterZac
  • CH 3635
  • Sapoderm
  • Gamophen
  • Aquasept
  • Sanitized XTX
  • Irgacare MP
  • Irgaguard B 1325
  • Ultra-fresh NM-V 2
  • Microban
  • 2,4,4′-Trichloro-2′-hydroxyldiphenyl ether
  • Microfresh liquid formulation 9200-200
  • Invasan
  • Invasan DP 300R
  • Microfresh 9200-200
  • Anvasan AM 110
  • Anvasan AM 110 new
  • 2-(2,4-Dichlorophenoxy)-5-chlorophenol
  • Germicide CA

Work with Triclosan

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-Dichlorophenol120-83-257 % similar 2,5-Dichlorophenol583-78-857 % similar 2-(2,4-Dichlorophenoxy)aniline26306-64-954 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-753 % similar 4-Chlorocatechol2138-22-950 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-249 % similar 2,3,5-Trichlorophenol933-78-845 % similar Nitrofen1836-75-544 % similar

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

Elsewhere

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