CAS No.50670-49-0,4-Bromo-4'-methylbiphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50670-49-0
Name:	4-Bromo-4'-methylbiphenyl
Article Data:	12

Formula:	C₁₃H₁₁Br
Molecular Weight:	247.134
Synonyms:	Biphenyl,4-bromo-4'-methyl- (6CI);4-Bromo-4'-methyl-1,1'-biphenyl;4-Bromo-4'-methylbiphenyl;4'-Bromo-4-methylbiphenyl;
Density:	1.32 g/cm³
Melting Point:	136℃
Boiling Point:	322.9 °C at 760 mmHg
Flash Point:	148.2 °C
Solubility:	Slightly soluble in water.
PSA:	0.00000
LogP:	4.42450

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Specification

The 4-Bromo-4'-methylbiphenyl with the CAS number 50670-49-0 is also called 1,1'-Biphenyl,4-bromo-4'-methyl-. Its molecular formula is C₁₃H₁₁Br. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Bromo-4'-methylbiphenyl are: (1)ACD/LogP: 5.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.34; (4)ACD/LogD (pH 7.4): 5.34; (5)ACD/BCF (pH 5.5): 6735.54; (6)ACD/BCF (pH 7.4): 6735.54; (7)ACD/KOC (pH 5.5): 19139.94; (8)ACD/KOC (pH 7.4): 19139.94; (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: 1.592; (14)Molar Refractivity: 63.35 cm³; (15)Molar Volume: 187.1 cm³; (16)Polarizability: 25.11×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Enthalpy of Vaporization: 54.23 kJ/mol; (19)Vapour Pressure: 0.000513 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccc(cc1)C)cc2
(2)InChI: InChI=1/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
(3)InChIKey: MYWLXURJCXISCT-UHFFFAOYAV