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13605-66-8

Basic Information
CAS No.: 13605-66-8
Name: 3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE
Article Data: 21
Molecular Structure:
Molecular Structure of 13605-66-8 (3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE)
Formula: C21H18ClOP
Molecular Weight: 352.8
Synonyms: 3-Chloro-2-oxopropylidene triphenylphosphorane;
Density: 1.21 g/cm3
Boiling Point: 503.5 °C at 760 mmHg
Flash Point: 258.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 26.88000
LogP: 3.59060
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Specification

The 2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-, with the CAS registry number 13605-66-8, is also known as 3-Chloro-2-oxopropylidene triphenylphosphorane. This chemical's molecular formula is C21H18ClOP and molecular weight is 352.79. What's more, its systematic name is 1-Chloro-3-(triphenyl-λ5-phosphanylidene)propan-2-one. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.88 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 101.32 cm3; (9)Molar Volume: 289.4 cm3; (10)Polarizability: 40.16×10-24 cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 258.3 °C; (14)Enthalpy of Vaporization: 77.28 kJ/mol; (15)Boiling Point: 503.5 °C at 760 mmHg; (16)Vapour Pressure: 2.88E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2
(3) InChIKey: NYAMPFDYTBDISG-UHFFFAOYAG