trimethylsilyl N-(trimethylsilyl)carbamate

• ChemBase ID: 158384
• Molecular Formular: C7H19NO2Si2
• Molecular Mass: 205.40226
• Monoisotopic Mass: 205.09543192
• SMILES: C[Si](C)(C)NC(=O)O[Si](C)(C)C
• Canonical SMILES: O=C(O[Si](C)(C)C)N[Si](C)(C)C
• InChI: InChI=1S/C7H19NO2Si2/c1-11(2,3)8-7(9)10-12(4,5)6/h1-6H3,(H,8,9)
• InChIKey: DGIJAZGPLFOQJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl N-(trimethylsilyl)carbamate
• IUPAC Traditional name: trimethylsilyl N-(trimethylsilyl)carbamate
• Synonyms: BSC; Trimethylsilyl N-(trimethylsilyl)carbamate; N,O-Bis(trimethylsilyl)carbamate; 三甲基硅烷基 N-三甲基硅烷基氨基甲酸酯; N,O-双(三甲基硅基)氨基甲酸酯

Database IDs

• CAS Number: 35342-88-2
• EC Number: 252-520-4
• MDL Number: MFCD00040476
• Beilstein Number: 2043399
• PubChem SID: 162252520; 24849226
• PubChem CID: 3015764

CALCULATED PROPERTIES

• Acid pKa: 15.800028
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7547
• LogD (pH = 7.4): 2.7547
• Log P: 2.7547
• Molar Refractivity: 44.2734 cm^3
• Polarizability: 21.420704 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-80 °C(lit.); 77-80 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T)
• Linear Formula: (CH3)3SiNHCO2Si(CH3)3

DETAILS

Sigma Aldrich - 15236

Other Notes
Extremely suitable reagent for the silylation of alcohols, phenols and carboxylic acids. The only by-products are CO2 and NH31; Silyloxycarbonylation of amines2,3; Acylisocyanates from carboxylic acid chlorides4
Packaging
10 g in glass bottle