Phosphonium,(2-oxopropyl)triphenyl-, chloride (1:1) (1235-21-8)

The Acetonyltriphenylphosphonium chloride, with cas registry number 1235-21-8, belongs to the following product categories: (1)Phosphonium Compounds; (2)Synthetic Organic Chemistry; (3)Wittig & Horner-Emmons Reaction; (4)Wittig Reaction. Its systematic name and its IUPAC name are the same, which is (2-oxopropyl)(triphenyl)phosphonium chloride.

Physical properties about this chemical are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 17.07 Å².

Preparation: this chemical can be prepared by 1-chloro-propan-2-one and triphenylphosphane. This reaction will need solvent acetonitrile.

Uses of Acetonyltriphenylphosphonium chloride: it can be used to produce 1-(triphenyl-l5-phosphanylidene)-propan-2-one. This reaction will need reagent 1N NaOH and solvent H₂O. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
The Acetonyltriphenylphosphonium chloride irritates to eyes, respiratory system and skin. When use it, avoid contact with skin and eyes and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C
(2)InChI: InChI=1/C21H20OP.ClH/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;/h2-16H,17H2,1H3;1H/q+1;/p-1
(3)InChIKey: XAMZZEBAJZJERT-REWHXWOFAQ
(4)Std. InChI: InChI=1S/C21H20OP.ClH/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;/h2-16H,17H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: XAMZZEBAJZJERT-UHFFFAOYSA-M

The toxicity data is as follows: