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The 1,1,1,3,3-Pentafluoropropane, with the CAS registry number 460-73-1,is also known as Propane, 1,1,1,3,3-pentafluoro-. It belongs to the product categories of Industrial/Fine Chemicals;refrigerants. Its EINECS number is 460-73-1. This chemical's molecular formula is C3H3F5 and molecular weight is 134.05. What's more,Its systematic name is Propane, 1,1,1,3,3-pentafluoro-.It is a colourless gas which should be Keeped container tightly closed in a cool and well-ventilated place .
Physical properties about 1,1,1,3,3-Pentafluoropropane are:
(1)ACD/LogP: 1.373; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.51; (6)ACD/BCF (pH 7.4): 6.51; (7)ACD/KOC (pH 5.5): 133.07; (8)ACD/KOC (pH 7.4): 133.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.25; (13)Molar Refractivity: 16.691 cm3; (14)Molar Volume: 105.719 cm3; (15)Surface Tension: 10.7720003128052 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: -24.963 °C; (18)Enthalpy of Vaporization: 24.577 kJ/mol; (19)Boiling Point: 8.07 °C at 760 mmHg; (20)Vapour Pressure: 1374.72204589844 mmHg at 25°C.
Uses of 1,1,1,3,3-Pentafluoropropane:
(1) It is used for refrigerators, polyurethane foam board insulation materials. (2) It can react with benzaldehyde to prepare 1-Phenyl-4,4,4-trifluorobut-2-yn-1-ol. This reaction needs two steps using reagent n-BuLi, solvent diethyl ether, hexane. The temperature is -10 ℃. The yield is 60%
You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)CC(F)(F)F;
(2)Std. InChI:InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2;
(3)Std. InChIKey:MSSNHSVIGIHOJA-UHFFFAOYSA-N.
The toxicity data of 1,1,1,3,3-Pentafluoropropane is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LCLo | inhalation | 15pph/2H (150000ppm) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0556312, |