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| CAS No.: | 2609-49-6 |
|---|---|
| Name: | DIETHYL(4-NITROBENZYL)PHOSPHONATE |
| Article Data: | 60 |
| Molecular Structure: | |
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| Formula: | C11H16NO5P |
| Molecular Weight: | 273.226 |
| Synonyms: | Phosphonicacid, (p-nitrobenzyl)-, diethyl ester (6CI,7CI,8CI);Phosphonic acid,[(4-nitrophenyl)methyl]-, diethyl ester (9CI);(4-Nitrobenzyl)phosphonic aciddiethyl Ester;Diethyl (4-nitrobenzyl)phosphonate;Diethyl(p-nitrobenzyl)phosphonate;NSC 82303;O,O-Diethyl (4-nitrobenzyl)phosphonate; |
| EINECS: | 246-331-6 |
| Density: | 1.239 g/cm3 |
| Boiling Point: | 409.3 °C at 760 mmHg |
| Flash Point: | 201.3 °C |
| Appearance: | clear slightly viscous yellow-orange to dark red liquid |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 24/25 |
| PSA: | 91.16000 |
| LogP: | 3.88410 |
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Specification
This chemical is called Diethyl (4-nitrobenzyl)phosphonate, and its CAS registry number is 2609-49-6. With the molecular formula of C11H16NO5P, its molecular weight is 273.22. Additionally, this chemical is clear slightly viscous yellow-orange to dark red liquid. If you use this it, please avoid contacting with skin and eyes.
Other characteristics of the Diethyl (4-nitrobenzyl)phosphonate can be summarised as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 91.16 Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 66.61 cm3; (9)Molar Volume: 220.4 cm3; (10)Polarizability: 26.4×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.239 g/cm3; (13)Flash Point: 201.3 °C; (14)Enthalpy of Vaporization: 63.58 kJ/mol; (15)Boiling Point: 409.3 °C at 760 mmHg; (16)Vapour Pressure: 1.55E-06 mmHg at 25°C.
Uses of this chemical: The Diethyl (4-nitrobenzyl)phosphonate could react with 4-trifluoromethyl-benzaldehyde, and obtain the 4-Trifluormethyl-4'-nitrostilben. This reaction needs the reagent of sodium ethoxide, and the solvent of ethanol. The yield is 86 %. In addition, this reaction should be taken for 30 minutes at the ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(cc1)CP(=O)(OCC)OCC
2.InChI: InChI=1/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
3.InChIKey: FORMFFDDQMCTCT-UHFFFAOYAD