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| CAS No.: | 392-42-7 |
|---|---|
| Name: | 2-CHLOROPENTAFLUORO-1,3-BUTADIENE |
| Molecular Structure: | |
|
|
|
| Formula: | C4ClF5 |
| Molecular Weight: | 178.489 |
| Synonyms: | 1,3-Butadiene,2-chloropentafluoro- (6CI,7CI,8CI);2-Chloropentafluoro-1,3-butadiene;2-Chloro-1,1,3,4,4-pentafluorobuta-1,3-diene;2-Chloropentafluorobutadiene; |
| Density: | 1.492 g/cm3 |
| Boiling Point: | 15.3 °C at 760 mmHg |
| Hazard Symbols: |
 F, T
|
| Risk Codes: | 10-23/24/25 |
| Safety: | 16-23-36/37-45 |
| PSA: | 0.00000 |
| LogP: | 3.41090 |
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Specification
The 1,3-Butadiene,2-chloro-1,1,3,4,4-pentafluoro-, with the CAS registry number 392-42-7, is also known as 2-Chloropentafluoro-1,3-butadiene. This chemical's molecular formula is C4ClF5 and molecular weight is 178.49. What's more, its systematic name is 2-Chloro-1,1,3,4,4-pentafluorobuta-1,3-diene.
Physical properties of 1,3-Butadiene,2-chloro-1,1,3,4,4-pentafluoro- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.91; (6)ACD/BCF (pH 7.4): 62.91; (7)ACD/KOC (pH 5.5): 674.75; (8)ACD/KOC (pH 7.4): 674.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.349; (13)Molar Refractivity: 25.73 cm3; (14)Molar Volume: 119.6 cm3; (15)Polarizability: 10.2×10-24 cm3; (16)Surface Tension: 15.2 dyne/cm; (17)Density: 1.492 g/cm3; (18)Enthalpy of Vaporization: 25.18 kJ/mol; (19)Boiling Point: 15.3 °C at 760 mmHg; (20)Vapour Pressure: 1070 mmHg at 25°C.
Uses of 1,3-Butadiene,2-chloro-1,1,3,4,4-pentafluoro-: it can be used to produce 4-chloro-1,3,3,5,6,6-hexafluoro-3,6-dihydro-1λ4-[1,2]thiazine at the temperature of 22 °C. It will need reagent FSN with the reaction time of 10 days. The yield is about 96%.
![1,3-Butadiene,2-chloro-1,1,3,4,4-pentafluoro- can be used to produce 4-chloro-1,3,3,5,6,6-hexafluoro-3,6-dihydro-1λ4-[1,2]thiazine at the temperature of 22 °C](/UserFilesUpload/Uses of 1,3-Butadiene,2-chloro-1,1,3,4,4-pentafluoro-.png)
When you are using this chemical, please be cautious about it as the following:
It is flammable and toxic by inhalation, in contact with skin and if swallowed. In case of accident or if you feel unwell seek medical advice immediately. When using it, you should keep it away from sources of ignition and you can't breathe gas/fumes/vapour/spray. What's more, you need wear suitable protective clothing and gloves when using it.
You can still convert the following datas into molecular structure:
(1)SMILES: F/C(F)=C(\F)C(\Cl)=C(/F)F
(2)InChI: InChI=1S/C4ClF5/c5-1(3(7)8)2(6)4(9)10
(3)InChIKey: ZQZMAJGEFXFVCR-UHFFFAOYSA-N