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CAS No.: | 13605-66-8 |
---|---|
Name: | 3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE |
Article Data: | 21 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 26.88000 |
LogP: | 3.59060 |
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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