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2-Propanone,3,3-dichloro-1,1,1-trifluoro-

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Name

2-Propanone,3,3-dichloro-1,1,1-trifluoro-

EINECS N/A
CAS No. 126266-75-9 Density 1.577 g/cm3
PSA 17.07000 LogP 1.92150
Solubility N/A Melting Point N/A
Formula C3HCl2F3O Boiling Point 98.6 °C at 760 mmHg
Molecular Weight 180.942 Flash Point 13.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 126266-75-9 (1,1-DICHLORO-3,3,3-TRIFLUOROACETONE HYDRATE) Hazard Symbols IrritantXi
Synonyms

1,1-Dichloro-3,3,3-trifluoroacetone;3,3-Dichloro-1,1,1-trifluoroacetone;3,3-Dichloro-1,1,1-trifluoropropan-2-one;2-propanone, 3,3-dichloro-1,1,1-trifluoro-;3,3-Dichloro-1,1,1-trifluoroacetone;

Article Data 1

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

The 2-Propanone,3,3-dichloro-1,1,1-trifluoro-, with the CAS registry number 126266-75-9, has the systematic name of 3,3-dichloro-1,1,1-trifluoropropan-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3HCl2F3O.

The characteristics of 2-Propanone,3,3-dichloro-1,1,1-trifluoro- are as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 113.96; (6)ACD/BCF (pH 7.4): 113.96; (7)ACD/KOC (pH 5.5): 1032.39; (8)ACD/KOC (pH 7.4): 1032.39; (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: 1.372; (14)Molar Refractivity: 26.09 cm3; (15)Molar Volume: 114.7 cm3; (16)Polarizability: 10.34×10-24cm3; (17)Surface Tension: 24.2 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 13.4 °C; (20)Enthalpy of Vaporization: 33.8 kJ/mol; (21)Boiling Point: 98.6 °C at 760 mmHg; (22)Vapour Pressure: 39.6 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C(=O)C(Cl)Cl
(2)InChI: InChI=1/C3HCl2F3O/c4-2(5)1(9)3(6,7)8/h2H
(3)InChIKey: LPKWVIATMJLTEK-UHFFFAOYAA

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