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1,1,1,3,3-Pentafluoropropane

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Name

1,1,1,3,3-Pentafluoropropane

EINECS
CAS No. 460-73-1 Density 1.267 g/cm3
Solubility Melting Point
Formula C3H3F5 Boiling Point 8.1 °C at 760 mmHg
Molecular Weight 134.05 Flash Point
Transport Information Appearance
Safety 3/7-9-23 Risk Codes
Molecular Structure Molecular Structure of 460-73-1 (1,1,1,3,3-Pentafluoropropane) Hazard Symbols
Synonyms

1,1,1,3,3-Pentafluoropropane;Enovate 3000;F 245fa;Genetron 245fa;HFA 245fa;HFC 245A;HFC 245fa;R 245a;R 245fa;

 

1,1,1,3,3-Pentafluoropropane Specification

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,

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