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1,1'-Biphenyl-4,4'-d2

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Name

1,1'-Biphenyl-4,4'-d2

EINECS
CAS No. 6120-99-6 Density 1.01 g/cm3
Solubility Melting Point
Formula C12H8D2 Boiling Point 257.956 °C at 760 mmHg
Molecular Weight 156.22 Flash Point 105.492 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 6120-99-6 (1,1'-Biphenyl-4,4'-d<sub>2</sub>) Hazard Symbols
Synonyms

Biphenyl-4,4'-d2(6CI,7CI,8CI);4,4'-Dideuterobiphenyl;4,4'-d2-Biphenyl;Biphenyl-p,p'-d2;

 

1,1'-Biphenyl-4,4'-d2 Specification

This chemical is called 1,1'-Biphenyl-4,4'-d2, and its systematic name is (4,4'-2H2)Biphenyl. With the molecular formula of C12H8D2, its molecular weight is 156.22. The CAS registry number of this chemical is 6120-99-6.

Other characteristics of the 1,1'-Biphenyl-4,4'-d2 can be summarised as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.091; (4)ACD/LogD (pH 7.4): 4.091; (5)ACD/BCF (pH 5.5): 757.589; (6)ACD/BCF (pH 7.4): 757.589; (7)ACD/KOC (pH 5.5): 4005.899; (8)ACD/KOC (pH 7.4): 4005.899; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 50.845 cm3; (14)Molar Volume: 154.718 cm3; (15)Polarizability: 20.156×10-24cm3; (16)Surface Tension: 36.632 dyne/cm; (17)Density: 1.01 g/cm3; (18)Flash Point: 105.492 °C; (19)Enthalpy of Vaporization: 47.552 kJ/mol; (20)Boiling Point: 257.956 °C at 760 mmHg; (21)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c1ccc(cc1)c2ccc(cc2)[2H]
2.InChI: InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,2D
3.InChIKey: ZUOUZKKEUPVFJK-QDNHWIQGEC

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