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Acetonyltriphenylphosphonium chloride

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Name

Acetonyltriphenylphosphonium chloride

EINECS 214-974-1
CAS No. 1235-21-8 Density N/A
PSA 30.66000 LogP 0.57350
Solubility soluble in hot water Melting Point 243-245 °C(lit.)
Formula C21H20ClOP Boiling Point N/A
Molecular Weight 354.816 Flash Point N/A
Transport Information N/A Appearance white to slight grayish crystaline powder
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1235-21-8 (ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE) Hazard Symbols IrritantXi
Synonyms

Acetonyltriphenylphosphoniumchloride (6CI,7CI);Phosphonium, (2-oxopropyl)triphenyl-, chloride (9CI);Phosphonium,acetonyltriphenyl-, chloride (8CI);(Acetylmethyl)triphenylphosphonium chloride;

Article Data 20

Acetonyltriphenylphosphonium chloride Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01535,

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