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Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro-

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Name

Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro-

EINECS N/A
CAS No. 4259-43-2 Density 1.7 g/cm3
PSA 0.00000 LogP 3.55420
Solubility N/A Melting Point -80°C
Formula C3Cl3F5 Boiling Point 71.9 °C at 760 mmHg
Molecular Weight 237.384 Flash Point 3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4259-43-2 (1,1,1-TRICHLOROPENTAFLUOROPROPANE) Hazard Symbols IrritantXi
Synonyms

2,2,3,3,3-Pentafluoro-1,1,1-trichloropropane;1,1,1-Trichloro-2,2,3,3,3-pentafluoropropane;

Article Data 4

Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro- Specification

The Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro-, with the CAS registry number 4259-43-2, is also known as 2,2,3,3,3-Pentafluoro-1,1,1-trichloropropane. It belongs to the product categories of CFC; Refrigerants. This chemical's molecular formula is C3Cl3F5 and molecular weight is 237.38. What's more, its IUPAC name is 1,1,1-trichloro-2,2,3,3,3-pentafluoropropane.

Physical properties of Propane,1,1,1-trichloro-2,2,3,3,3-pentafluoro- are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1386.34; (6)ACD/BCF (pH 7.4): 1386.34; (7)ACD/KOC (pH 5.5): 6173.74; (8)ACD/KOC (pH 7.4): 6173.74; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.365; (14)Molar Refractivity: 31.21 cm3; (15)Molar Volume: 139.5 cm3; (16)Polarizability: 12.37×10-24cm3; (17)Surface Tension: 21.2 dyne/cm; (18)Density: 1.7 g/cm3; (19)Flash Point: 3 °C; (20)Enthalpy of Vaporization: 30.03 kJ/mol; (21)Boiling Point: 71.9 °C at 760 mmHg; (22)Vapour Pressure: 133 mmHg at 25°C.

Preparation: this chemical can be prepared by trichloro-fluoro-methane and tetrafluoroethene at the temperature of 30-50°C. This reaction will need reagent AlCl3 with the reaction time of 10 hours. The yield is about 74%.

chemicalPropane,1,1,1-trichloro-2,2,3,3,3-pentafluoro- can be prepared by trichloro-fluoro-methane and tetrafluoroethene at the temperature of 30-50°C

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(F)(F)C(F)(F)F
(2)Std. InChI: InChI=1S/C3Cl3F5/c4-2(5,6)1(7,8)3(9,10)11
(3)Std. InChIKey: HJRXHKBZNQULJQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 11gm/kg (11000mg/kg)   National Technical Information Service. Vol. OTS0571659,
rat LCLo inhalation 30000ppm/4H (30000ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571659,

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