Molecule structure of Monochlorodibromotrifluoroethane (CAS NO.29256-79-9):
IUPAC Name: 1,1-Dibromo-1-chloro-2,2,2-trifluoroethane
Molecular Weight: 276.27761 [g/mol]
Molecular Formula: C2Br2ClF3
Density: 2.387 g/cm3
Boiling Point: 94.1 °C at 760 mmHg
Flash Point: 10.7 °C
Index of Refraction: 1.465
Molar Refractivity: 32.05 cm3
Molar Volume: 115.7 cm3
Polarizability: 12.7×10-24 cm3
Surface Tension: 31 dyne/cm
Enthalpy of Vaporization: 31.99 kJ/mol
Vapour Pressure: 54.9 mmHg at 25 °C
XLogP3-AA: 3.5
H-Bond Acceptor: 3
Exact Mass: 275.798691
MonoIsotopic Mass: 273.800738
Heavy Atom Count: 8
Complexity: 87.8
Canonical SMILES: C(C(Cl)(Br)Br)(F)(F)F
InChI: InChI=1S/C2Br2ClF3/c3-1(4,5)2(6,7)8
InChIKey of Monochlorodibromotrifluoroethane (CAS NO.29256-79-9): WGIRTDAEWOUFQR-UHFFFAOYSA-N
1. | ihl-rat LCLo:25,000 ppm/15M | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 6 (1952),435. | ||
2. | ihl-mus LC50:22 g/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 10 (5)(1966),34. |
Low toxicity by inhalation route. When heated to decomposition it emits toxic vapors of F−, Br−, and Cl−.
Monochlorodibromotrifluoroethane (CAS NO.29256-79-9) is also named as Chlorodibromotrifluoroethane ; Dibromotrifluoromonochloroethane ; Halon 2312 ; Ethane, chlorodibromotrifluoro- ; Ethane, dibromochlorotrifluoro- .
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