Product Name

  • Name

    1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea

  • EINECS
  • CAS No. 104147-33-3
  • Article Data1
  • CAS DataBase
  • Density 1.57 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H3Cl2F4NO2
  • Boiling Point 319.9 °C at 760 mmHg
  • Molecular Weight 304.028
  • Flash Point 147.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104147-33-3 (1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea)
  • Hazard Symbols
  • Synonyms 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate;1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea;
  • PSA 38.66000
  • LogP 4.19740

3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate Specification

The CAS register number of 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate is 104147-33-3. It also can be called as 1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea and the systematic name about this chemical is 1,3-dichloro-5-isocyanato-2-(1,1,2,2-tetrafluoroethoxy)benzene. The molecular formula about this chemical is C9H3Cl2F4NO2 and molecular weight is 304.02.

Physical properties about 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3758.87; (6)ACD/BCF (pH 7.4): 3758.87; (7)ACD/KOC (pH 5.5): 12607.23; (8)ACD/KOC (pH 7.4): 12607.23; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.66Å2; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 55.98 cm3; (14)Molar Volume: 193.1 cm3; (15)Polarizability: 22.19x10-24cm3; (16)Surface Tension: 33.5 dyne/cm; (17)Enthalpy of Vaporization: 56.15 kJ/mol; (18)Boiling Point: 319.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000329 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)/N=C=O
(2)InChI: InChI=1/C9H3Cl2F4NO2/c10-5-1-4(16-3-17)2-6(11)7(5)18-9(14,15)8(12)13/h1-2,8H
(3)InChIKey: DIBJOUIDJQRDBM-UHFFFAOYAZ

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