CAS No.79-53-8,CHLOROPENTAFLUOROACETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79-53-8
Name:	CHLOROPENTAFLUOROACETONE

Formula:	C₃ClF₅O
Molecular Weight:	182.477
Synonyms:	1,1,1,3,3-Pentafluoro-3-chloroacetone;Chloropentafluoro-2-propanone;Chloropentafluoroacetone;Pentafluorochloroacetone;2-Propanone, 1-monochloro-1,1,3,3,3-pentafluoro-;1-Chloro-1,1,3,3,3-pentafluoropropan-2-one;1-Chloro-1,1,3,3,3-pentafluoro-2-propanone;
Density:	1.602 g/cm³
Melting Point:	-133°C
Boiling Point:	40.6 °C at 760 mmHg
Hazard Symbols:	T
Risk Codes:	26-34-41-63
Safety:	26-36/37/39-45
PSA:	17.07000
LogP:	1.94940

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Specification

The 2-Propanone,1-chloro-1,1,3,3,3-pentafluoro-, with the CAS registry number 79-53-8, is also known as Chloropentafluoroacetone. This chemical's molecular formula is C₃ClF₅O and molecular weight is 182.48. What's more, its systematic name is 1-Chloro-1,1,3,3,3-pentafluoropropan-2-one.

Physical properties of 2-Propanone,1-chloro-1,1,3,3,3-pentafluoro- are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 110.72; (6)ACD/BCF (pH 7.4): 110.72; (7)ACD/KOC (pH 5.5): 1011.27; (8)ACD/KOC (pH 7.4): 1011.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.304; (14)Molar Refractivity: 21.57 cm³; (15)Molar Volume: 113.8 cm³; (16)Polarizability: 8.55×10^-24cm³; (17)Surface Tension: 17.4 dyne/cm; (18)Density: 1.602 g/cm³; (19)Enthalpy of Vaporization: 28.51 kJ/mol; (20)Boiling Point: 40.6 °C at 760 mmHg; (21)Vapour Pressure: 420 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-Oxo-perfluorpropylfluorsulfat at the temperature of 25 °C. This reaction will need reagent LiCl and solvent bis-(2-methoxy-ethyl) ether with the reaction time of 0.5 hour. The yield is about 88%.

2-Propanone,1-chloro-1,1,3,3,3-pentafluoro- can be prepared by 2-Oxo-perfluorpropylfluorsulfat at the temperature of 25 °C

Uses of 2-Propanone,1-chloro-1,1,3,3,3-pentafluoro-: it can be used to produce 1,1,1,3,3-pentafluoro-propan-2-one. It will need reagents HgCl₂, Al and solvent diethyl ether or tetrahydrofuran. The yield is about 75%.

2-Propanone,1-chloro-1,1,3,3,3-pentafluoro- can be used to produce 1,1,1,3,3-pentafluoro-propan-2-one

When you are using this chemical, please be cautious about it as the following:
It is very toxic by inhalation and can cause burns. Besides, it has the risk of causing serious damage to eyes and it is harmful to the unborn child. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible). When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)C(Cl)(F)F
(2)InChI: InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9
(3)InChIKey: OJUUDWYPNQALHZ-UHFFFAOYSA-N