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CAS No.: | 460-60-6 |
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Name: | 1,3-DIBROMO-1,1,3-TRIFLUOROPROPANE |
Molecular Structure: | |
Formula: | C3H3Br2F3 |
Molecular Weight: | 255.86 |
Synonyms: | 1,3-Dibromo-1,1,3-trifluoropropane; |
Density: | 2.111 g/cm3 |
Boiling Point: | 118.3 °C at 760 mmHg |
Flash Point: | 25.4 °C |
PSA: | 0.00000 |
LogP: | 3.05470 |
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The CAS registry number of Propane,1,3-dibromo-1,1,3-trifluoro- is 460-60-6. This chemical is also named as 1,3-Dibromo-1,1,3-trifluoropropane. In addition, its molecular formula is C3H3Br2F3 and molecular weight is 255.86. Its systematic name is called 1,3-dibromo-1,1,3-trifluoro-propane.
Physical properties about Propane,1,3-dibromo-1,1,3-trifluoro- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.395; (4)ACD/LogD (pH 7.4): 2.395; (5)ACD/BCF (pH 5.5): 38.92; (6)ACD/BCF (pH 7.4): 38.92; (7)ACD/KOC (pH 5.5): 478.473; (8)ACD/KOC (pH 7.4): 478.473; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 31.827 cm3; (14)Molar Volume: 121.187 cm3; (15)Surface Tension: 27.211 dyne/cm; (16)Density: 2.111 g/cm3; (17)Flash Point: 29.229 °C; (18)Enthalpy of Vaporization: 34.763 kJ/mol; (19)Boiling Point: 124.718 °C at 760 mmHg; (20)Vapour Pressure: 15.215 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(C(F)Br)C(F)(F)Br
(2)InChI: InChI=1/C3H3Br2F3/c4-2(6)1-3(5,7)8/h2H,1H2
(3)InChIKey: KUGXARLZCNNOIV-UHFFFAOYAE