chempirical

Triclocarban

C13H9Cl3N2OCAS 101-20-2315.58 g/mol

Open in Covalent MOL file
OHNClClNHCl
Aryl halide

Properties

Molecular formula
C13H9Cl3N2O
Molar mass
315.58 g/mol
Exact mass
313.9780 Da
Density
0.336 g/mL (at 20 °C)
Melting point
255.2–256 °C
pKa
12.7
Water solubility
110 µg/L (20 °C)
logP
5.30Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 185 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
101-20-2
SMILES
OC(=Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1
InChIKey
ICUTUKXCWQYESQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)

Weigh it out

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Names and synonyms

20 names · show all
  • Urea, N-(4-chlorophenyl)-N′-(3,4-dichlorophenyl)-
  • Carbanilide, 3,4,4′-trichloro-
  • N-(4-Chlorophenyl)-N′-(3,4-dichlorophenyl)urea
  • ENT 26925
  • Cutisan
  • TCC
  • 3,4,4′-Trichlorocarbanilide
  • 3,4,4′-Trichlorodiphenylurea
  • N-(3,4-Dichlorophenyl)-N′-(4-chlorophenyl)urea
  • Cusiter
  • Genoface
  • Procutene
  • Solubacter
  • 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea
  • 3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea
  • NSC 72005
  • Preventol SB extra
  • Preventol SB
  • Cuticura
  • Trichlorocarban

Work with Triclocarban

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

Similar compounds

Methyl N-(3,4-dichlorophenyl)carbamate1918-18-944 % similar Dcmu330-54-144 % similar Propanil709-98-844 % similar 1,3-Diphenylurea102-07-844 % similar 4-Chlorophenylurea140-38-543 % similar 1,2,4-Trichlorobenzene120-82-140 % similar Linuron330-55-240 % similar Forchlorfenuron68157-60-839 % similar

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

Elsewhere

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