CAS No.105946-82-5,4-Bromo-4'-iodobiphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105946-82-5
Name:	4-Bromo-4'-iodobiphenyl
Article Data:	27

Formula:	C₁₂H₈BrI
Molecular Weight:	359.004
Synonyms:	4-Bromo-4’-iodobiphenyl;
EINECS:	1312995-182-4
Density:	1.86 g/cm³
Melting Point:	166-168 °C
Boiling Point:	369.329 °C at 760 mmHg
Flash Point:	177.164 °C
Appearance:	White powder
Risk Codes:	36/37/38-52/53
Safety:	26-37-60-61
PSA:	0.00000
LogP:	4.72070

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Specification

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