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Name |
4-Bromo-4'-iodobiphenyl |
EINECS | 1312995-182-4 |
CAS No. | 105946-82-5 | Density | 1.86 g/cm3 |
PSA | 0.00000 | LogP | 4.72070 |
Solubility | N/A | Melting Point |
166-168 °C |
Formula | C12H8BrI | Boiling Point | 369.329 °C at 760 mmHg |
Molecular Weight | 359.004 | Flash Point | 177.164 °C |
Transport Information | N/A | Appearance | White powder |
Safety | 26-37-60-61 | Risk Codes | 36/37/38-52/53 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-4’-iodobiphenyl; |
Article Data | 27 |
The 1,1'-Biphenyl, 4-bromo-4'-iodo-, with the CAS registry number 105946-82-5, is also known as 4-Bromo-4'-iodobiphenyl. This chemical's molecular formula is C12H8BrI and molecular weight is 359.00. What's more, its systematic name is called 4-Bromo-4'-iodobiphenyl.
Physical properties about 1,1'-Biphenyl, 4-bromo-4'-iodo- are: (1)ACD/LogP: 5.887; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.89; (4)ACD/LogD (pH 7.4): 5.89; (5)ACD/BCF (pH 5.5): 17531.43; (6)ACD/BCF (pH 7.4): 17531.43; (7)ACD/KOC (pH 5.5): 37958.70; (8)ACD/KOC (pH 7.4): 37958.70; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 71.442 cm3; (15)Molar Volume: 192.976 cm3; (16)Polarizability: 28.322×10-24cm3; (17)Surface Tension: 47.55 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 177.164 °C; (20)Enthalpy of Vaporization: 59.188 kJ/mol; (21)Boiling Point: 369.329 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(c1ccc(I)cc1)cc2
(2) InChI: InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
(3) InChIKey: GWOAJJWBCSUGHH-UHFFFAOYSA-N