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CAS No.: | 4336-70-3 |
---|---|
Name: | (CYANOMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C20H17ClNP |
Molecular Weight: | 337.788 |
Synonyms: | (Cyanomethyl)triphenylphosphoniumchloride (6CI,7CI);Phosphonium, (cyanomethyl)triphenyl-, chloride (8CI,9CI);NSC 92174; |
EINECS: | 224-383-0 |
Melting Point: | 268-270 °C |
Solubility: | very faint turbidity |
Appearance: | off-white crystalline powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 37/39-26 |
PSA: | 37.38000 |
LogP: | 0.50808 |
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The Phosphonium,(cyanomethyl)triphenyl-, chloride (1:1), with the CAS registry number 4336-70-3, is also known as Cyanomethyltriphenylphosphonium chloride. It belongs to the product categories of Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents. Its EINECS registry number is 224-383-0. This chemical's molecular formula is C20H17ClNP and molecular weight is 337.78. What's more, both its IUPAC name and systematic name are the same which is called Cyanomethyl(triphenyl)phosphanium chloride. It is off-white crystalline powder and it should be kept in a cold and dry place.
Physical properties about Phosphonium,(cyanomethyl)triphenyl-, chloride (1:1) are: (1) #H bond acceptors: 1; (2) #H bond donors: 0; (3) #Freely Rotating Bonds: 4; (4) Polar Surface Area: 23.79 Å2; (5) Melting Point: 268-270 °C.
Preparation of Phosphonium,(cyanomethyl)triphenyl-, chloride (1:1): this chemical can be prepared by Decan-2-ol. This reaction needs reagents Trichloroacetonitrile, PPh3 and solvent Acetonitrile at temperature of 2-5 °C. The reaction time is 1 hour. The yield is 87 %.
Uses of Phosphonium,(cyanomethyl)triphenyl-, chloride (1:1): it is used to produce other chemicals. For example, it is used to produce (Triphenyl-l5-phosphanylidene)-acetonitrile. The reaction occurs with reagent NaOH and solvent CH2Cl2 at temperature of 20 °C for 10 minutes.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may cause damage to health and it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].N#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
(3) InChIKey: ARPLQAMUUDIHIT-REWHXWOFAB