Name: 1,1,1-TRIFLUORO-2,2,3,3,3-PENTACHLORO-PROPANE
SKU: 1652-89-7

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Basic Information

Molecular Structure:
CAS No.:	1652-89-7
Name:	1,1,1-TRIFLUORO-2,2,3,3,3-PENTACHLORO-PROPANE
Article Data:	14

Formula:	C₃Cl₅F₃
Molecular Weight:	270.293
Synonyms:	Pentachloro-1,1,1-trifluoropropane;1,1,1-Trifluoro-2,2,3,3,3-pentachloro propane;2,2,3,3,3-Pentachloro-1,1,1-trifluoropropane;
Density:	1.784 g/cm³
Boiling Point:	147.8 °C at 760 mmHg
Flash Point:	54.2 °C
PSA:	0.00000
LogP:	4.09280

Total:10 Page 1 of 1 1

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Specification

The Propane,1,1,1,2,2-pentachloro-3,3,3-trifluoro-, with the CAS registry number 1652-89-7, is also known as 1,1,1-Trifluoro-2,2,3,3,3-pentachloro propane. This chemical's molecular formula is C₃Cl₅F₃ and molecular weight is 270.29. What's more, its IUPAC name is 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane.

Physical properties of Propane,1,1,1,2,2-pentachloro-3,3,3-trifluoro- are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5959; (6)ACD/BCF (pH 7.4): 5959; (7)ACD/KOC (pH 5.5): 17533.2; (8)ACD/KOC (pH 7.4): 17533.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 40.58 cm³; (15)Molar Volume: 151.4 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.784 g/cm³; (19)Flash Point: 54.2 °C; (20)Enthalpy of Vaporization: 36.89 kJ/mol; (21)Boiling Point: 147.8 °C at 760 mmHg; (22)Vapour Pressure: 5.52 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,2-trichloro-3,3,3-trifluoro-propene by irradiation. This reaction will need reagent chlorine and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is about 60%.

Propane,1,1,1,2,2-pentachloro-3,3,3-trifluoro- can be prepared by 1,1,2-trichloro-3,3,3-trifluoro-propene by irradiation

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(Cl)(Cl)C(F)(F)F
(2)Std. InChI: InChI=1S/C3Cl5F3/c4-1(5,2(6,7)8)3(9,10)11
(3)Std. InChIKey: GKXWTRSVUPXQMM-UHFFFAOYSA-N

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