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| CAS No.: | 690-39-1 |
|---|---|
| Name: | 1,1,1,3,3,3-Hexafluoropropane |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C3H2F6 |
| Molecular Weight: | 152.039 |
| Synonyms: | 1,1,1,3,3,3-Hexafluoropropane;2,2-Dihydroperfluoropropane;Bistrifluoromethylmethane;HCFC 236fa;HFC 236fa;R 236fa;SUVA 236fa; |
| EINECS: | 425-320-1 |
| Density: | 1.371 g/cm3 |
| Melting Point: | -93.6°C |
| Boiling Point: | -1.4°C |
| Solubility: | 724mg/L at 20℃ |
| Appearance: | colourless gas |
| Hazard Symbols: |
 Xi
|
| Safety: | 23 |
| PSA: | 0.00000 |
| LogP: | 2.50110 |
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Specification
The 1,1,1,3,3,3-Hexafluoropropane, which is also the IUPAC name of this chemical, belongs to the classes of refrigerants; Refrigerant; Fluorochemicals. Its cas registry number is 690-39-1. Its systematic name is called Propane, 1,1,1,3,3,3-hexafluoro-. This chemical is also known as HFC-236fa. It is mainly used as fire extinguishing agent, refrigerant, aerosol sprays, blowing agents and carrier thermal media.
Physical properties about this chemical are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 4.3; (7)ACD/KOC (pH 5.5): 98.92; (8)ACD/KOC (pH 7.4): 98.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.24; (13)Molar Refractivity: 16.86 cm3; (14)Molar Volume: 110.8 cm3; (15)Surface Tension: 10.3 dyne/cm; (16)Density: 1.371 g/cm3 ; (17)Enthalpy of Vaporization: 22.85 kJ/mol; (18)Vapour Pressure: 2780 mmHg at 25°C.
Preparation of 1,1,1,3,3,3-Hexafluoropropane: It can be prepared by oxosuccinic acid. In this reaction, it will give 2H,2H-octafluoro-butane. The reaction needs reagents SF4, HF (anh.) at temperature of 20 ℃. It also needs steel autoclave. The reaction time is 12 hours.
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When you are using this chemical, please be cautious about it as the following:
This chemical is stable and non-combustible. But it is incompatible with alkali metals, strong bases. It is a commenced PMN (Premanufacture Notice) substance. Moderately toxic by inhalation route. When heated to decomposition, it emits toxic vapors of F-. Do not breathe vapour during using it.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2;
(2)Smiles: C(CC(F)(F)F)(F)(F)F
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LCLo | inhalation | > 19.5pph/4H (195000ppm) | BEHAVIORAL: GENERAL ANESTHETIC | Toxicologist. Vol. 30, Pg. 291, 1996. |