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| CAS No.: | 50479-11-3 |
|---|---|
| Name: | [3-(ETHOXYCARBONYL)PROPYL]TRIPHENYLPHOSPHONIUM BROMIDE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C24H26BrO2P |
| Molecular Weight: | 457.347 |
| Synonyms: | Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (9CI);3-Carboethoxypropyltriphenylphosphonium bromide;NSC 269919;[3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide;(4-Ethoxy-4-oxobutyl)(triphenyl)phosphonium bromide;phosphonium, (4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1); |
| Melting Point: | 165-167 °C(lit.) |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.89000 |
| LogP: | 1.32780 |
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- Total:34 Page 1 of 1 1
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Specification
The Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1), with the CAS registry number 50479-11-3, has the systematic name and IUPAC name of (4-ethoxy-4-oxobutyl)(triphenyl)phosphonium bromide. It is a kind of white powder, and belongs to the following product categories: C-C Bond Formation; Olefination; Wittig Reagents. And the molecular formula of the chemical is C24H26BrO2P. What's more, it should be stored in the refrigerator.
The characteristics of Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1) are as followings: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 26.3 Å2.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].O=C(OCC)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C24H26O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,2,12,19-20H2,1H3;1H/q+1;/p-1
(3)InChIKey: JPZMNVPVVYVXAD-REWHXWOFAA