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CAS No.: | 59080-36-3 |
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Name: | 2,4',5-TRIBROMOBIPHENYL |
Molecular Structure: | |
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Formula: | C12H7Br3 |
Molecular Weight: | 390.9 |
Synonyms: | 2,5,4'-Tribromobiphenyl;PBB 31; |
Density: | 1.923 g/cm3 |
Boiling Point: | 377.5 °C at 760 mmHg |
Flash Point: | 176.9 °C |
PSA: | 0.00000 |
LogP: | 5.64110 |
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The CAS registry number of 1,1'-Biphenyl,2,4',5-tribromo- is 59080-36-3. In addition, the molecular formula is C12H7Br3 and the molecular weight is 390.9. Its systematic name is 2,4',5-tribromobiphenyl. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,1'-Biphenyl,2,4',5-tribromo- are: (1)ACD/LogP: 6.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.15; (4)ACD/LogD (pH 7.4): 6.15; (5)ACD/BCF (pH 5.5): 28016.53; (6)ACD/BCF (pH 7.4): 28016.53; (7)ACD/KOC (pH 5.5): 53093.8; (8)ACD/KOC (pH 7.4): 53093.8; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.647; (11)Molar Refractivity: 73.91 cm3; (12)Molar Volume: 203.2 cm3; (13)Polarizability: 29.3 ×10-24cm3; (14)Surface Tension: 46.9 dyne/cm; (15)Density: 1.923 g/cm3; (16)Flash Point: 176.9 °C; (17)Enthalpy of Vaporization: 60.08 kJ/mol; (18)Boiling Point: 377.5 °C at 760 mmHg; (19)Vapour Pressure: 1.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(Br)cc2c1ccc(Br)cc1
(2)Std. InChI: InChI=1S/C12H7Br3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
(3)Std. InChIKey: VQAOFEQEGKHRBC-UHFFFAOYSA-N