1-(trimethylsilyl)-1H-imidazole; pyridine

• ChemBase ID: 157828
• Molecular Formular: C11H17N3Si
• Molecular Mass: 219.35828
• Monoisotopic Mass: 219.11917409
• SMILES: C[Si](C)(C)n1ccnc1.c1ccncc1
• Canonical SMILES: c1cccnc1.C[Si](n1ccnc1)(C)C
• InChI: InChI=1S/C6H12N2Si.C5H5N/c1-9(2,3)8-5-4-7-6-8;1-2-4-6-5-3-1/h4-6H,1-3H3;1-5H
• InChIKey: PFVKFOIOKNIZKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)-1H-imidazole; pyridine
• IUPAC Traditional name: 1-(trimethylsilyl)imidazole; pyridine
• Synonyms: Silylating mixture Fluka VII; TMSI+Pyridine; 1-(Trimethylsilyl)imidazole - Pyridine mixture; TMSI+吡啶; 硅烷化混合物 Fluka VII; 1-(三甲基硅基)咪唑 - 吡啶混合物

Database IDs

• CAS Number: 8077-35-8
• MDL Number: MFCD00284770
• PubChem SID: 24889693; 162251965
• PubChem CID: 22631287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.1262809
• LogD (pH = 7.4): 0.77336043
• Log P: 0.9264
• Molar Refractivity: 36.9638 cm^3
• Polarizability: 15.598138 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 17 °C; 62.6 °F
• Density: 0.98 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1282
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36/37/38
• Safety Statements: 16-26-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1282 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: for GC derivatization
• Description: 1:4 (v/v)

DETAILS

Sigma Aldrich - 92718

Other Notes
Silylating mixture for the mild silylation of alcohols. It is often called Tri-Sil Z1,2