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CAS No.: | 104147-33-3 |
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Name: | 1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H3Cl2F4NO2 |
Molecular Weight: | 304.028 |
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; |
Density: | 1.57 g/cm3 |
Boiling Point: | 319.9 °C at 760 mmHg |
Flash Point: | 147.3 °C |
PSA: | 38.66000 |
LogP: | 4.19740 |
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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