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