-
Name
DECAFLUOROBUTANE
- EINECS 206-580-3
- CAS No. 355-25-9
- Article Data75
- CAS DataBase
- Density 1.595 g/cm3
- Solubility 1.610 mg/L in water at 25 ºC
- Melting Point -84.5 °C
- Formula C4F10
- Boiling Point -2 °C
- Molecular Weight 238.028
- Flash Point 4.2 °C
- Transport Information UN 3163
- Appearance colorless gas
- Safety 3-7
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Butane,decafluoro- (6CI,7CI,8CI,9CI);1,1,1,2,2,3,3,4,4,4-Decafluorobutane;CEA 410;Decafluorobutane;FC 3110;NC100100;PF 5040;PFC 31-10;Butane, 1,1,1,2,2,3,3,4,4,4-decafluoro-;Sonazoid;
- PSA 0.00000
- LogP 3.38160
Perflubutane Specification
The Perflubutane, with the CAS registry number 355-25-9, is also known as Decafluorobutane. It belongs to the product category of refrigerants. Its EINECS number is 206-580-3. This chemical's molecular formula is C4F10 and molecular weight is 238.03. What's more, its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane. Its classification code is Ultrasound contrast agent intended for assessing myocardial perfusion in patients with coronary artery disease. It should be kept in a cool place. You should keep the container tightly closed. It is a colorless gas. It is used as a replacement for Halon 1301 fire extinguishers, as well as being an ultrasound imaging agent. As a pharmaceutical, it is known as sonazoid or perflubutane (USAN).
Physical properties of Perflubutane are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/BCF (pH 5.5): 621.74; (5)ACD/KOC (pH 5.5): 3477.52; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.233; (8)Molar Refractivity: 22.08 cm3; (9)Molar Volume: 149.2 cm3; (10)Surface Tension: 10.2 dyne/cm; (11)Density: 1.595 g/cm3; (12)Enthalpy of Vaporization: 23.74 kJ/mol; (13)Vapour Pressure: 1940 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,1,2,3,3,4,4,4-octafluoro-but-1-ene at the temperature of 100 °C. This reaction will need reagent fluorine, NiF2. The yield is about 96%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F
(2)InChI: InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
(3)InChIKey: KAVGMUDTWQVPDF-UHFFFAOYSA-N
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