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502457-70-7

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Basic Information
CAS No.: 502457-70-7
Name: 1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE
Article Data: 1
Molecular Structure:
Molecular Structure of 502457-70-7 (1,2-DIBROMO-4-CHLORO-1,1,2-TRIFLUOROBUTANE)
Formula: C4H4Br2ClF3
Molecular Weight: 304.332
Synonyms: 1-Chloro-3,4-dibromo-3,4,4-trifluorobutane;
Density: 2.045 g/cm3
Boiling Point: 173.5 °C at 760 mmHg
Flash Point: 58.7 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 3.66370
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Specification

The Butane,1,2-dibromo-4-chloro-1,1,2-trifluoro-, with the CAS registry number 502457-70-7, is also known as 1-Chloro-3,4-dibromo-3,4,4-trifluorobutane. This chemical's molecular formula is C4H4Br2ClF3 and molecular weight is 304.3308. What's more, its systematic name is 1,2-Dibromo-4-chloro-1,1,2-trifluorobutane. In addition, it may cause inflammation to the skin or other mucous membranes.

Physical properties about Butane,1,2-dibromo-4-chloro-1,1,2-trifluoro- are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 903.12; (6)ACD/BCF (pH 7.4): 903.12; (7)ACD/KOC (pH 5.5): 4542.79; (8)ACD/KOC (pH 7.4): 4542.79; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 41.31 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 16.37×10-24 cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 2.045 g/cm3; (19)Flash Point: 58.7 °C; (20)Enthalpy of Vaporization: 39.31 kJ/mol; (21)Boiling Point: 173.5 °C at 760 mmHg; (22)Vapour Pressure: 1.69 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCC(F)(Br)C(Br)(F)F
(2) InChI: InChI=1/C4H4Br2ClF3/c5-3(8,1-2-7)4(6,9)10/h1-2H2
(3) InChIKey: PSZKHWSIFOQADS-UHFFFAOYAK