CAS No.480438-93-5,3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	480438-93-5
Name:	3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate

Formula:	C₈H₅Cl₂FO
Molecular Weight:	207.03
Synonyms:	3,5-DICHLORO-2-FLUOROACETOPHENONE;3,5-DICHLORO-2-FLUOROACETOPHENONE;3',5'-dichloro-2'-fluoroacetophenone;3,5-Dichloro-2-fluoroacetophenone 3,5-Dichloro-2-fluoroacetophenone
Density:	1.388 g/cm³
Melting Point:	230-231 °C(lit.)
Boiling Point:	287.4 °C at 760 mmHg
Flash Point:	127.6 °C
PSA:	17.07000
LogP:	3.33510

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Specification

The CAS registry number of Ethanone, 1-(3,5-dichloro-2-fluorophenyl)- is 480438-93-5. This chemical is also named as 3,5-Dichloro-2-fluoroacetophenone. In addition, its molecular formula is C₈H₅Cl₂FO and molecular weight is 207.03. Its systematic name is called 1-(3,5-dichloro-2-fluorophenyl)ethanone.

Physical properties about Ethanone, 1-(3,5-dichloro-2-fluorophenyl)- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.86; (6)ACD/BCF (pH 7.4): 123.86; (7)ACD/KOC (pH 5.5): 1095.82; (8)ACD/KOC (pH 7.4): 1095.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 46.06 cm³; (14)Molar Volume: 149 cm³; (15)Surface Tension: 38.4 dyne/cm; (16)Density: 1.388 g/cm³; (17)Flash Point: 127.6 °C; (18)Enthalpy of Vaporization: 52.66 kJ/mol; (19)Boiling Point: 287.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00249 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)C)cc(Cl)cc1Cl
(2)InChI: InChI=1/C8H5Cl2FO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
(3)InChIKey: LVVYERCKCGWONQ-UHFFFAOYAU