2-Propanone,1-(triphenylphosphoranylidene)- (1439-36-7)

The 1-(Triphenylphosphoranylidene)acetone with cas registry number of 1439-36-7, belongs to the following product categories: (1)Synthetic Organic Chemistry; (2)Wittig & Horner-Emmons Reaction; (3)Wittig Reaction. Its systematic name and IUPAC name are the same, which is 1-(triphenyl-lambda~5~-phosphanylidene)propan-2-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 166.27; (6)ACD/BCF (pH 7.4): 166.27; (7)ACD/KOC (pH 5.5): 1352.88; (8)ACD/KOC (pH 7.4): 1352.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.88 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 96.48 cm³; (15)Molar Volume: 278 cm³; (16)Polarizability: 38.25×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 74.26 kJ/mol; (19)Vapour Pressure: 2.56E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-(Triphenylphosphoranylidene)acetone is harmful if swallowed. So do not breathe dust. And this chemical is irritating to eyes, respiratory system and skin. When use it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)C;
(2)InChI: InChI=1/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3;
(3)InChIKey: KAANTNXREIRLCT-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3;
(5)Std. InChIKey: KAANTNXREIRLCT-UHFFFAOYSA-N

The toxicity data is as follows: