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6779-08-4

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Basic Information
CAS No.: 6779-08-4
Name: Dichloromethylenetriphenylphosphorane
Article Data: 10
Molecular Structure:
Molecular Structure of 6779-08-4 (Dichloromethylenetriphenylphosphorane)
Formula: C19H15Cl2P
Molecular Weight: 345.208
Synonyms: (Dichloromethylene)triphenylphosphorane;
Density: 1.272 g/cm3
Boiling Point: 472.3 °C at 760 mmHg
Flash Point: 239.439 °C
PSA: 9.81000
LogP: 4.54550
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Specification

The Dichloromethylenetriphenylphosphorane with the CAS number 6779-08-4 is also called Phosphorane,(dichloromethylene)triphenyl-. The systematic name is (dichloromethylidene)(triphenyl)-lambda~5~-phosphane. Its molecular formula is C19H15Cl2P. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8797; (6)ACD/BCF (pH 7.4): 8797; (7)ACD/KOC (pH 5.5): 23170; (8)ACD/KOC (pH 7.4): 23170; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.81 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 96.549 cm3; (15)Molar Volume: 271.285 cm3; (16)Polarizability: 38.275×10-24cm3; (17)Surface Tension: 48.394 dyne/cm; (18)Enthalpy of Vaporization: 70.712 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)=P(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C19H15Cl2P/c20-19(21)22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
(3)InChIKey: VVBOKSZMMZPBIY-UHFFFAOYAK