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| CAS No.: | 82495-67-8 |
|---|---|
| Name: | 1,2-BIS(DICHLOROPHOSPHINO)BENZENE |
| Molecular Structure: | |
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| Formula: | C6H4Cl4P2 |
| Molecular Weight: | 279.857 |
| Synonyms: | 1,2-Bis(dichlorophosphino)benzene;Benzene-1,2-diylbis(phosphonous dichloride);0-Phenylenbis(dichlorphosphan);1,2-Phenylenebis(phosphonous dichloride); |
| Density: | 1.545 g/mL at 25 °C |
| Boiling Point: | 320.3 °C at 760 mmHg |
| Flash Point: | 147.5 °C |
| Hazard Symbols: | C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 27.18000 |
| LogP: | 4.51620 |
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Specification
The Phosphonousdichloride, P,P'-(1,2-phenylene)bis-, with the CAS registry number 82495-67-8, is also known as 1,2-Bis(dichlorophosphino)benzene. This chemical's molecular formula is C6H4Cl4P2 and molecular weight is 279.86. What's more, its systematic name is benzene-1,2-diylbis(phosphonous dichloride).
Physical properties of Phosphonousdichloride, P,P'-(1,2-phenylene)bis- are: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 6.95; (5)ACD/BCF (pH 5.5): 113312.27; (6)ACD/BCF (pH 7.4): 113312.27; (7)ACD/KOC (pH 5.5): 144354.23; (8)ACD/KOC (pH 7.4): 144354.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.18 Å2; (13)Flash Point: 147.5 °C; (14)Enthalpy of Vaporization: 53.96 kJ/mol; (15)Boiling Point: 320.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000602 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClP(Cl)c1ccccc1P(Cl)Cl
(2)Std. InChI: InChI=1S/C6H4Cl4P2/c7-11(8)5-3-1-2-4-6(5)12(9)10/h1-4H
(3)Std. InChIKey: IGYHSFVSIYJSML-UHFFFAOYSA-N