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

Name
1,1-DICHLORO-3,3,3-TRIFLUOROACETONE HYDRATE
EINECS
CAS No. 126266-75-9
Article Data1
CAS DataBase
Density 1.577 g/cm³
Solubility
Melting Point
Formula C₃HCl₂F₃O
Boiling Point 98.6 °C at 760 mmHg
Molecular Weight 180.942
Flash Point 13.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 17.07000
LogP 1.92150

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

Product Name

1,1-DICHLORO-3,3,3-TRIFLUOROACETONE HYDRATE

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

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