4-nitrophenyl 2-(trimethylsilyl)ethyl carbonate

• ChemBase ID: 152647
• Molecular Formular: C12H17NO5Si
• Molecular Mass: 283.35258
• Monoisotopic Mass: 283.08759918
• SMILES: C[Si](C)(C)CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: O=C(Oc1ccc(cc1)[N+](=O)[O-])OCC[Si](C)(C)C
• InChI: InChI=1S/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
• InChIKey: ZAQWGGKIMQIVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nitrophenyl 2-(trimethylsilyl)ethyl carbonate
• IUPAC Traditional name: 4-nitrophenyl 2-(trimethylsilyl)ethyl carbonate
• Synonyms: Carbonic acid 4-nitrophenyl 2-(trimethylsilyl)ethyl ester; TEOC-ONp; 2-(Trimethylsilyl)ethyl 4-nitrophenyl carbonate; 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate; 2-(三甲基硅基)乙基 4-硝基苯基碳酸酯; 对硝基苯基三甲基硅乙基碳酸酯

Database IDs

• CAS Number: 80149-80-0
• EC Number: 279-406-7
• MDL Number: MFCD00042930
• Beilstein Number: 4320585
• PubChem SID: 162246791; 24889709
• PubChem CID: 3086116

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9665
• LogD (pH = 7.4): 3.9665
• Log P: 3.9665
• Molar Refractivity: 66.5693 cm^3
• Polarizability: 27.689583 Å^3
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-40 °C; 35-40°C

Safety Information

• Storage Warning: Moisture & Light Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (NMR); 95%
• Empirical Formula (Hill Notation): C12H17NO5Si

DETAILS

Sigma Aldrich - 92748

Other Notes
Reagent for the introduction of the TEOC-amino protecting group which can be cleaved by F-,1,2,3
Packaging
5, 25 g in glass bottle