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Cas Database |
| Name |
Octafluorocyclobutane |
EINECS | 204-075-2 |
| CAS No. | 115-25-3 | Density | 1.66 g/cm3 |
| PSA | 0.00000 | LogP | 2.54120 |
| Solubility | Slightly soluble in water | Melting Point |
-41.4 °C |
| Formula | C4F8 | Boiling Point | -6 °C |
| Molecular Weight | 200.031 | Flash Point | N/A |
| Transport Information | UN 1976 | Appearance | Colorless gas |
| Safety | 23-38 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Cyclobutane, octafluoro-;Octafluorocyclobutane;Perfluorocyclobutane;Freon C-318;FC-C 318;Propellant C318;R-C 318;1,1,2,2,3,3,4,4-Octafluorocyclobutane; |
Article Data | 60 |
Octafluorocyclobutane Synthetic route
- 187737-37-7
propene
- 931-91-9
1,1,2,2,3,3-Hexafluoro-cyclopropane
A
- 116-14-3
polytetrafluoroethylene
B
- 373-94-4
1,1-difluoro-2-methylcyclopropane
C
- 115-25-3
Octafluorocyclobutane
D
- 374-30-1
1,1,2,2-tetrafluoro-3-methylcyclobutane
| Conditions | Yield |
|---|---|
| at 296℃; for 1h; sealed tube in vacuo; | A 16% B 100% C 9% D 21% |
| at 296℃; sealed tube in vacuo; | A 16% B 100% C 9% D 21% |
- 379-14-6
1,2,2,3,3-pentafluoro-1-difluoromethylcyclopropane
A
- 116-14-3
polytetrafluoroethylene
B
- 433-66-9
pentafloropropylene
C
- 931-91-9
1,1,2,2,3,3-Hexafluoro-cyclopropane
D
- 115-25-3
Octafluorocyclobutane
| Conditions | Yield |
|---|---|
| at 300℃; for 160h; Further byproducts given; | A 28% B 100% C 6% D 12% |
- 379-14-6
1,2,2,3,3-pentafluoro-1-difluoromethylcyclopropane
- 110-83-8
cyclohexene
A
- 116-14-3
polytetrafluoroethylene
B
- 433-66-9
pentafloropropylene
C
- 115-25-3
Octafluorocyclobutane
D
- 823-70-1
7,7-difluoronorcarane
| Conditions | Yield |
|---|---|
| at 200℃; for 320h; Further byproducts given; | A 14% B 99% C n/a D 47% |
- 379-14-6
1,2,2,3,3-pentafluoro-1-difluoromethylcyclopropane
- 110-83-8
cyclohexene
A
- 116-14-3
polytetrafluoroethylene
B
- 433-66-9
pentafloropropylene
C
- 201230-82-2
carbon monoxide
D
- 115-25-3
Octafluorocyclobutane
E
- 823-70-1
7,7-difluoronorcarane
F
- 7783-61-1
silicon tetrafluoride
| Conditions | Yield |
|---|---|
| With Pyrex tube at 200℃; for 320h; Product distribution; Mechanism; further periods of contact time, other temperatures; | A 14% B 99% C 11% D n/a E 47% F 13% |
- 75-01-4
chloroethylene
- 931-91-9
1,1,2,2,3,3-Hexafluoro-cyclopropane
A
- 116-14-3
polytetrafluoroethylene
B
- 115-25-3
Octafluorocyclobutane
C
- 54944-21-7
1,1-difluoro-2-chlorocyclopropane
| Conditions | Yield |
|---|---|
| at 294℃; for 1h; sealed tube in vacuo; | A 91% B 19% C 55% |
- 17065-31-5
1,2,3,4,7,7-hexafluorobicyclo<2,2,1>hepta-2,5-diene
A
- 115-25-3
Octafluorocyclobutane
B
- 551-62-2
1,2,3,4-tetrafluorobenzene
| Conditions | Yield |
|---|---|
| at 450℃; for 0.5h; | A 56% B 73% |
- 74-85-1
ethene
- 931-91-9
1,1,2,2,3,3-Hexafluoro-cyclopropane
A
- 116-14-3
polytetrafluoroethylene
B
- 558-29-2
2,2-difluorocyclopropane
C
- 374-12-9
1,1,2,2-tetrafluorocyclobutane
D
- 115-25-3
Octafluorocyclobutane
| Conditions | Yield |
|---|---|
| at 300℃; for 4h; sealed tube in vacuo; | A 16% B 68% C 63% D 15% |
| Conditions | Yield |
|---|---|
| With vanadium pentafluoride at 60℃; for 3h; closed tube; | 59% |
| With trichlorofluoromethane; fluorine at -70℃; | |
| With vanadium pentafluoride at 50 - 60℃; for 3h; | 59 % Turnov. |
| With vanadium pentafluoride at 50 - 60℃; for 3h; Product distribution; different time, temp.; | 59 % Turnov. |
- 116-14-3
polytetrafluoroethylene
- 460-96-8
bis(trifluoromethyl)phosphine
A
- 75-46-7
trifluoromethan
B
- 115-25-3
Octafluorocyclobutane
C
- 25196-27-4
Tetrafluorethylbis-trifluormethyl-phosphin
| Conditions | Yield |
|---|---|
| 200°C, 24 h; | A 7% B 53% C 46% |
| 200°C, 24 h; | A 7% B 53% C 46% |
- 355-49-7
perfluorocetane
A
- 116-14-3
polytetrafluoroethylene
B
- 116-15-4
perfluoropropylene
C
- 115-25-3
Octafluorocyclobutane
| Conditions | Yield |
|---|---|
| at 195 - 550℃; under 75.7576 Torr; Temperature; Pressure; Pyrolysis; | A 36.1% B 42.7% C 6.1% |
Octafluorocyclobutane Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Octafluorocyclobutane Standards and Recommendations
DOT Classification: 2.2; Label: Nonflammable Gas
Octafluorocyclobutane Specification
The Octafluorocyclobutane with CAS registry number of 115-25-3 is also known as Octafluorocyclobutane. The IUPAC name is 1,1,2,2,3,3,4,4-Octafluorocyclobutane. It belongs to product categories of Refrigerants; Organics. Its EINECS registry number is 204-075-2. In addition, the formula is C4F8 and the molecular weight is 200.03. It is a colorless gas that may cause inflammation to the skin or other mucous membranes. This chemical is used as a refrigerant in specialised applications and also can be usded as a deposition gas or etchant in the production semiconductor materials and devices. During using it, do not breathe gas/fumes/vapour/spray. In case of insufficient ventilation wear suitable respiratory equipment.
Physical properties about Octafluorocyclobutane are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.49; (8)ACD/KOC (pH 7.4): 39.49; (9)Index of Refraction: 1.257; (10)Molar Refractivity: 19.5 cm3; (11)Molar Volume: 120 cm3; (12)Surface Tension: 11 dyne/cm; (13)Density: 1.66 g/cm3; (14)Enthalpy of Vaporization: 23.41 kJ/mol; (15)Vapour Pressure: 2220 mmHg at 25 °C.
Preparation of Octafluorocyclobutane: it is prepared by reaction of hexafluorocyclobutene. The reaction needs reagent VF5 at the temperature of 50-60 °C for 3 hours. The yield is about 59% Turnov.
Uses of Octafluorocyclobutane: it is used to produce difluoro-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoro-etho and 1-[2-(difluoro-iodo-methoxy)-1,1,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoro-ethoxy)-ethane by reaction with silver 3,6,9-trioxa-F-undecanoate. The reaction occurs with reagent iodine at the temperature of 130 °C for 5 hours. The yield is about 67%.
![Octafluorocyclobutane is used to produce difluoro-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoro-etho and 1-[2-(difluoro-iodo-methoxy)-1,1,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoro-ethoxy)-ethane by reaction with silver 3,6,9-trioxa-F-undecanoate.](/UserFilesUpload/Uses of Octafluorocyclobutane(1).png)
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1(C(C(C1(F)F)(F)F)(F)F)(F)F
2. InChI: InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10
3. InChIKey: BCCOBQSFUDVTJQ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 78pph/2H (780000ppm) | Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 111, Pg. 39, 1975. |
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