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| CAS No.: | 697-11-0 |
|---|---|
| Name: | HEXAFLUOROCYCLOBUTENE |
| Molecular Structure: | |
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|
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| Formula: | C4F6 |
| Molecular Weight: | 162.034 |
| Synonyms: | Cyclobutene,hexafluoro- (6CI,7CI,8CI,9CI);1,2,3,3,4,4-Hexafluoro-1-cyclobutene;Hexafluorocyclobutene;Perfluorocyclobutene; |
| EINECS: | 211-803-2 |
| Density: | 1.594 g/cm3 |
| Melting Point: | -60 °C |
| Boiling Point: | 6.456 °C at 760 mmHg |
| Flash Point: | -22.427 °C |
| Hazard Symbols: |
 T, F
|
| Risk Codes: | 23 |
| Safety: | 23-45 |
| PSA: | 0.00000 |
| LogP: | 2.42120 |
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Specification
The Cyclobutene,1,2,3,3,4,4-hexafluoro-, with the CAS registry number 697-11-0, is also known as Hexafluorocyclobutene. It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 211-803-2. This chemical's molecular formula is C4F6 and molecular weight is 162.03. What's more, its IUPAC name is called 1,2,3,3,4,4-Hexafluorocyclobutene.
Physical properties about Cyclobutene,1,2,3,3,4,4-hexafluoro- are: (1)ACD/LogP: 1.625; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.12; (6)ACD/BCF (pH 7.4): 10.12; (7)ACD/KOC (pH 5.5): 182.44; (8)ACD/KOC (pH 7.4): 182.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.295; (14)Molar Refractivity: 18.701 cm3; (15)Molar Volume: 101.663 cm3; (16)Polarizability: 7.414×10-24cm3; (17)Surface Tension: 11.72 dyne/cm; (18)Density: 1.594 g/cm3; (19)Flash Point: -22.427 °C; (20)Enthalpy of Vaporization: 24.443 kJ/mol; (21)Boiling Point: 6.456 °C at 760 mmHg; (22)Vapour Pressure: 1453.154 mmHg at 25 °C.
Preparation of Cyclobutene,1,2,3,3,4,4-hexafluoro-: this chemical can be prepared by 1,1,2,3,4,4-hexafluoro-buta-1,3-diene. This reaction temperature is 300 °C and reaction time is 64 hours. The yield is 47 %.
Uses of Cyclobutene,1,2,3,3,4,4-hexafluoro-: it is used to produce other chemicals. For example, it can react with diazomethane to get 1,5,6,6,7,7-hexafluoro-2,3-diaza-bicyclo[3.2.0]hept-3-ene. This reaction needs ambient temperature. The reaction time is 14 days. The yield is 55 %.
![Cyclobutene,1,2,3,3,4,4-hexafluoro- can react with diazomethane to get 1,5,6,6,7,7-hexafluoro-2,3-diaza-bicyclo[3.2.0]hept-3-ene.](/UserFilesUpload/Uses of Cyclobutene,1,2,3,3,4,4-hexafluoro-.jpg)
When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to healthat low levels and it is toxic by inhalation. Therefore, you can not breathe the gas/fumes/vapour/spray. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: F/C1=C(\F)C(F)(F)C1(F)F
(2) InChI: InChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8
(3) InChIKey: QVHWOZCZUNPZPW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 50000ppm (50000ppm) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Anaesthesia. Vol. 16, Pg. 3, 1961. |
| rat | LCLo | inhalation | 62500ppb/4H (62.5ppm) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | National Technical Information Service. Vol. OTS0543752, |