Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2-Bis(trifluoromethyl)oxirane |
EINECS | N/A |
CAS No. | 31898-68-7 | Density | 1.654 g/cm3 |
PSA | 12.53000 | LogP | 1.88000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H2F6O | Boiling Point | 60.36 °C at 760 mmHg |
Molecular Weight | 180.05 | Flash Point | -4.738 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 16 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Propane,2,3-epoxy-1,1,1-trifluoro-2-(trifluoromethyl)- (8CI);2,2-Bis(trifluoromethyl)oxirane;Hexafluoroisobutylene oxide;2,2-bis(trifluoromethyl)oxirane;oxirane, 2,2-bis(trifluoromethyl)-; |
Article Data | 7 |
The Oxirane,2,2-bis(trifluoromethyl)-, with the CAS registry number 31898-68-7, has the systematic name of 2,2-bis(trifluoromethyl)oxirane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H2F6O. It is a kind of flammable chemical, therefore, you should not smoke while dealing with this chemical.
The characteristics of Oxirane,2,2-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 262; (8)ACD/KOC (pH 7.4): 262; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.299; (14)Molar Refractivity: 20.31 cm3; (15)Molar Volume: 108.852 cm3; (16)Polarizability: 8.051×10-24cm3; (17)Surface Tension: 18.121 dyne/cm; (18)Density: 1.654 g/cm3; (19)Flash Point: -4.738 °C; (20)Enthalpy of Vaporization: 29.027 kJ/mol; (21)Boiling Point: 60.36 °C at 760 mmHg; (22)Vapour Pressure: 206.596 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C1(OC1)C(F)(F)F
(2)InChI: InChI=1/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
(3)InChIKey: NYZSKEULTVZUAW-UHFFFAOYAD