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CAS No.: | 106302-03-8 |
---|---|
Name: | (3-ETHOXYCARBONYL-2-OXOPROPYL)TRIPHENYLPHOSPHONIUM CHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H24ClO3P |
Molecular Weight: | 426.88 |
Synonyms: | (3-Carboxyacetonyl)triphenylphosphoniumchloride, ethyl ester (7CI);Phosphonium, (4-ethoxy-2,4-dioxobutyl)triphenyl-,chloride (9CI);(3-Ethoxycarbonyl-2-oxopropyl)triphenylphosphonium chloride;[3-(Ethoxycarbonyl)-2-oxypropyl]triphenylphosphonium chloride; |
Melting Point: | 160 °C (dec.)(lit.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 56.96000 |
LogP: | 0.50680 |
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This chemical is called Phosphonium,(4-ethoxy-2,4-dioxobutyl)triphenyl-, chloride (1:1), and its systematic name is (4-ethoxy-2,4-dioxobutyl)(triphenyl)phosphonium chloride. With the molecular formula of C24H24ClO3P, its producy categories are C-C Bond Formation; Olefination; Wittig Reagents. The CAS registry number of this chemical is 106302-03-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Phosphonium,(4-ethoxy-2,4-dioxobutyl)triphenyl-, chloride (1:1) can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 43.37 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O=C(OCC)CC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
2.InChI: InChI=1/C24H24O3P.ClH/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1
3.InChIKey: BRRCLIKFZISBBV-REWHXWOFAM