CAS No.758-42-9,1,1,1-TRICHLOROTRIFLUOROACETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	758-42-9
Name:	1,1,1-TRICHLOROTRIFLUOROACETONE
Article Data:	6

Formula:	C₃Cl₃F₃O
Molecular Weight:	215.387
Synonyms:	1,1,1-Trichloro-3,3,3-trifluoro-2-propanone;1,1,1-Trichloro-3,3,3-trifluoroacetone;3,3,3-Trichloro-1,1,1-trifluoroacetone;
EINECS:	212-063-3
Density:	1.498 g/cm³
Boiling Point:	162.9 °C at 760 mmHg
Flash Point:	87.2 °C
Hazard Symbols:	C
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,1,1,1-trichloro-3,3,3-trifluoro- is an organic compound with the formula C₃Cl₃F₃O. The IUPAC name of this chemical is 1,1,1-trichloro-3,3,3-trifluoropropan-2-one. With the CAS registry number 758-42-9, it is also named as 1-(Pentafluorophenyl)ethanol.

Physical properties about 2-Propanone,1,1,1-trichloro-3,3,3-trifluoro- are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.13; (5)ACD/BCF (pH 7.4): 9.13; (6)ACD/KOC (pH 5.5): 169.43; (7)ACD/KOC (pH 7.4): 169.43; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 37.3 cm³; (14)Molar Volume: 141.5 cm³; (15)Polarizability: 14.79×10^-24cm³; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 1.498 g/cm³; (18)Flash Point: 87.2 °C; (19)Enthalpy of Vaporization: 42.24 kJ/mol; (20)Boiling Point: 162.9 °C at 760 mmHg; (21)Vapour Pressure: 1.46 mmHg at 25°C.

Uses of 2-Propanone,1,1,1-trichloro-3,3,3-trifluoro-: it can be used to produce 1,1-dichloro-3,3,3-trifluoro-propen-2-ol. It will need reagent HgCl₂, Al and solvent diethyl ether, tetrahydrofuran. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)C(O)C
(2)InChI: InChI=1/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3
(3)InChIKey: WYUNHWKTLDBPLE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3
(5)Std. InChIKey: WYUNHWKTLDBPLE-UHFFFAOYSA-N