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| CAS No.: | 80149-80-0 |
|---|---|
| Name: | TEOC-ONP |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C12H17NO5Si |
| Molecular Weight: | 283.356 |
| Synonyms: | 2-(Trimethylsilanyl)ethyl4-nitrophenyl carbonate;2-(Trimethylsilyl)ethyl 4-nitrophenyl carbonate;2-(Trimethylsilyl)ethyl p-nitrophenyl carbonate;4-Nitrophenyl2-trimethylsilylethyl carbonate; |
| EINECS: | 279-406-7 |
| Density: | 1.147 g/cm3 |
| Melting Point: | 35-40 ºC |
| Boiling Point: | 371.7 ºC at 760 mmHg |
| Flash Point: | 178.6 ºC |
| Solubility: | Slightly soluble in water. |
| Safety: | 22-24/25 |
| PSA: | 81.35000 |
| LogP: | 3.97160 |
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Specification
The Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester, with the CAS registry number 80149-80-0, is also known as 2-(Trimethylsilyl)ethyl 4-nitrophenyl carbonate. Its EINECS registry number is 279-406-7. This chemical's molecular formula is C12H17NO5Si and molecular weight is 283.35. What's more, both its IUPAC name and systematic name are the same which is called (4-Nitrophenyl) 2-trimethylsilylethyl carbonate.
Physical properties about Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 419.26; (6)ACD/BCF (pH 7.4): 419.26; (7)ACD/KOC (pH 5.5): 2622.88; (8)ACD/KOC (pH 7.4): 2622.88; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 73.13 cm3; (15)Molar Volume: 247 cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 1.147 g/cm3; (18)Flash Point: 178.6 °C; (19)Enthalpy of Vaporization: 61.88 kJ/mol; (20)Boiling Point: 371.7 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25 °C; (22)Melting Point: 35-40 °C.
Preparation of Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester: this chemical can be prepared by Carbonochloridic acid 4-nitro-phenyl ester with 2-Trimethylsilanyl-ethanol. This reaction needs solvents CH2Cl2 and Pyridine at ambient temperature. The reaction time is 2 hours. The yield is 87 %.
ethyl ester.jpg)
Uses of Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-1-[2-(trimethylsilyl)ethoxycarbonyl]indole. The reaction occurs with reagent Sodium hydride and solvent Tetrahydrofuran at ambient temperature for 2 hours. The yield is 61 %.
![Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester is used to produce 2-Methyl-1-[2-(trimethylsilyl)ethoxycarbonyl]indole](/UserFilesUpload/Uses of Carbonic acid,4-nitrophenyl 2-(trimethylsilyl)ethyl ester.jpg)
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. Therefore, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)OCC[Si](C)(C)C
(2) InChI: InChI=1/C12H17NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7H,8-9H2,1-3H3
(3) InChIKey: ZAQWGGKIMQIVGM-UHFFFAOYAT