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Benzene-1,2,4,5-d4

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Name

Benzene-1,2,4,5-d4

EINECS N/A
CAS No. 14919-17-6 Density 0.918 g/cm3
PSA 0.00000 LogP 1.68660
Solubility N/A Melting Point N/A
Formula C6H2D4 Boiling Point 78.834 °C at 760 mmHg
Molecular Weight 82.0819 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14919-17-6 (BENZENE-1,2,4,5-D4) Hazard Symbols N/A
Synonyms

1,2,4,5-Tetradeuterobenzene;p-Benzene-d4;

 

Benzene-1,2,4,5-d4 Specification

This chemical is called Benzene-1,2,4,5-d4, and its systematic name is 1,2,4,5-tetradeuteriobenzene. With the molecular formula of C6H2D4, its molecular weight is 82.14. The CAS registry number of this chemical is 14919-17-6.

Other characteristics of the Benzene-1,2,4,5-d4 can be summarised as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.177; (4)ACD/LogD (pH 7.4): 2.177; (5)ACD/BCF (pH 5.5): 26.569; (6)ACD/BCF (pH 7.4): 26.569; (7)ACD/KOC (pH 5.5): 364.065; (8)ACD/KOC (pH 7.4): 364.065; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 26.253 cm3; (14)Molar Volume: 89.434 cm3; (15)Polarizability: 10.407×10-24cm3; (16)Surface Tension: 28.853 dyne/cm; (17)Density: 0.918 g/cm3; (18)Flash Point: °C; (19)Enthalpy of Vaporization: 30.72 kJ/mol; (20)Boiling Point: 78.834 °C at 760 mmHg; (21)Vapour Pressure: 100.919 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]c1cc(c(cc1[2H])[2H])[2H]
2.InChI: InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,5D,6D
3.InChIKey: UHOVQNZJYSORNB-NMRLXUNGES

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