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CAS No.: | 336-19-6 |
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Name: | 1,2-DICHLOROOCTAFLUOROCYCLOHEX-1-ENE |
Molecular Structure: | |
Formula: | C6Cl2F8 |
Molecular Weight: | 294.959 |
Synonyms: | Cyclohexene,1,2-dichlorooctafluoro- (6CI,7CI,8CI);1,2-Dichloro-3,3,4,4,5,5,6,6-octafluoro-1-cyclohexene;1,2-Dichlorooctafluorocyclohexene;1,2-Dichloroperfluorocyclohexene; |
EINECS: | 206-408-7 |
Density: | 1.74 g/cm3 |
Melting Point: | -70°C |
Boiling Point: | 111.5 °C at 760 mmHg |
Flash Point: | 33.6 °C |
Hazard Symbols: | T |
Risk Codes: | 20/21/22 |
Safety: | 23-36/37/39 |
PSA: | 0.00000 |
LogP: | 4.23040 |
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This chemical is called Cyclohexene,1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro-, and its IUPAC name is 1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene. With the molecular formula of C6Cl2F8, its molecular weight is 294.96. The CAS registry number of this chemical is 336-19-6.
Other characteristics of the Cyclohexene,1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro- can be summarised as followings: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 18893.62; (6)ACD/BCF (pH 7.4): 18893.62; (7)ACD/KOC (pH 5.5): 40047.27; (8)ACD/KOC (pH 7.4): 40047.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.366; (13)Molar Refractivity: 37.88 cm3; (14)Molar Volume: 168.8 cm3; (15)Polarizability: 15.01×10-24cm3; (16)Surface Tension: 19.9 dyne/cm; (17)Density: 1.74 g/cm3; (18)Flash Point: 33.6 °C; (19)Enthalpy of Vaporization: 33.56 kJ/mol; (20)Boiling Point: 111.5 °C at 760 mmHg; (21)Vapour Pressure: 26.7 mmHg at 25°C.
Uses of this chemical: The Cyclohexene,1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro- could react with chloro-trimethyl-silane to obtain the (2-chloro-3,3,4,4,5,5,6,6-octafluoro-cyclohex-1-enyl)-trimethyl-silane. This reaction needs the reagent of P(NEt2)3. The yield is 78 %. In addition, this reaction should be taken for 1 hour at the temperature of ambient temperature.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC1(F)C(F)(F)C(\Cl)=C(\Cl)C(F)(F)C1(F)F
2.InChI: InChI=1/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
3.InChIKey: BICOGOBTBGYGFA-UHFFFAOYAM
The toxicity data is as follows:
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