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2-Propanone,1,1,3-trichloro-1,3,3-trifluoro-

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Name

2-Propanone,1,1,3-trichloro-1,3,3-trifluoro-

EINECS N/A
CAS No. 79-52-7 Density 1.712 g/cm3
PSA 17.07000 LogP 2.48800
Solubility soluable in water and Most organic solvents Melting Point <-78oC
Formula C3Cl3F3O Boiling Point 113 °C at 760 mmHg
Molecular Weight 215.387 Flash Point 22.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 79-52-7 (1,1,3-TRICHLOROTRIFLUOROACETONE) Hazard Symbols CorrosiveC
Synonyms

Acetone, 1,1,3-trichloro-1,3,3-trifluoro-;

 

2-Propanone,1,1,3-trichloro-1,3,3-trifluoro- Specification

The 2-Propanone,1,1,3-trichloro-1,3,3-trifluoro-, with the CAS registry number of 79-52-7, is also known as Acetone, 1,1,3-trichloro-1,3,3-trifluoro-. This chemical's molecular formula is C3Cl3F3O and molecular weight is 215.39. What's more, its IUPAC name is 1,1,3-Trichloro-1,3,3-trifluoropropan-2-one.

Physical properties about the 2-Propanone,1,1,3-trichloro-1,3,3-trifluoro- are: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 5195.25; (6)ACD/BCF (pH 7.4): 5195.25; (7)ACD/KOC (pH 5.5): 15893.64; (8)ACD/KOC (pH 7.4): 15893.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 30.94 cm3; (15)Molar Volume: 125.7 cm3; (16)Surface Tension: 28.5 dyne/cm; (17)Density: 1.712 g/cm3; (18)Flash Point: 22.1 °C; (19)Enthalpy of Vaporization: 35.15 kJ/mol; (20)Boiling Point: 113 °C at 760 mmHg; (21)Vapour Pressure: 21.2 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1,1-Diethoxy-4,4-difluoro-4-chloro-3-fluorodichloromethyl-1-buten-3-ol. This reaction needs reagent 1,1-Diethoxy-ethene. Other condition of this reaction is reaction time of 18 hours at ambient temperature. The yield is about 94 %.


 

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, during using it, wear suitable protective clothing, gloves and eye/face protection. In addition, this chemical may cause burns.

You can still convert the following datas into molecular structure:
(1) SMILES:FC(F)(Cl)C(=O)C(Cl)(Cl)F
(2) InChI:InChI=1/C3Cl3F3O/c4-2(5,7)1(10)3(6,8)9
(3) InChIKey:QCVAFEQJWDOJLG-UHFFFAOYAR

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