2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- supplier

Name
3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE
EINECS
CAS No. 13605-66-8
Article Data21
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₂₁H₁₈ClOP
Boiling Point 503.5 °C at 760 mmHg
Molecular Weight 352.8
Flash Point 258.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-2-oxopropylidene triphenylphosphorane;
PSA 26.88000
LogP 3.59060

2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- 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^-24cm³; (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

Product Name

3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE

2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- Specification

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