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CAS No.: | 2252-84-8 |
---|---|
Name: | 1H-HEPTAFLUOROPROPANE |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C3HF7 |
Molecular Weight: | 170.03 |
Synonyms: | 1-Hydroheptafluoropropane; |
Density: | 1.457 g/cm3 |
Melting Point: | -126.8°C (estimate) |
Boiling Point: | -16,3°C |
Hazard Symbols: | Xi |
Safety: | 23-38 |
PSA: | 0.00000 |
LogP: | 2.44910 |
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The Propane,1,1,1,2,2,3,3-heptafluoro-, with the CAS registry number of 2252-84-8, is also known as 1-Hydroheptafluoropropane. It belongs to the product category of refrigerants. This chemical's molecular formula is C3HF7 and molecular weight is 170.03. What's more, its IUPAC name is 1,1,1,2,2,3,3-Heptafluoropropane.
Physical properties about the Propane,1,1,1,2,2,3,3-heptafluoro- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.42; (6)ACD/BCF (pH 7.4): 12.42; (7)ACD/KOC (pH 5.5): 211.28; (8)ACD/KOC (pH 7.4): 211.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.229; (14)Molar Refractivity: 16.98 cm3; (15)Molar Volume: 116.6 cm3; (16)Surface Tension: 9.6 dyne/cm; (17)Density: 1.457 g/cm3; (18)Enthalpy of Vaporization: 22.6 kJ/mol; (19)Vapour Pressure: 3080 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 4-Chloro-aniline with 1,1,1,2,2,3,3-Heptafluoro-3-iodo-propane. The reaction needs reagent Copper bronze and solvent Dimethylsulfoxide. The reaction time is 16 h with reaction temperature of 100 °C. The yield is about 45 %.
When you are using this chemical, please be cautious about it as the following:
You should avoid breathing the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In addition, in case of insufficient ventilation wear suitable respiratory equipment.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)C(F)(F)C(F)(F)F
(2) InChI: InChI=1/C3HF7/c4-1(5)2(6,7)3(8,9)10/h1H
(3) InChIKey: UKACHOXRXFQJFN-UHFFFAOYAD