2-(tert-butyldimethylsilyl)-1-methyl-1H-imidazole

• ChemBase ID: 145920
• Molecular Formular: C10H20N2Si
• Molecular Mass: 196.3647
• Monoisotopic Mass: 196.13957518
• SMILES: CC(C)(C)[Si](C)(C)c1nccn1C
• Canonical SMILES: Cn1ccnc1[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H20N2Si/c1-10(2,3)13(5,6)9-11-7-8-12(9)4/h7-8H,1-6H3
• InChIKey: QXALJDVEKIUPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butyldimethylsilyl)-1-methyl-1H-imidazole
• IUPAC Traditional name: 2-(tert-butyldimethylsilyl)-1-methylimidazole
• Synonyms: 2-(tert-Butyldimethylsilyl)-1-methyl-1H-imidazole; 2-(叔丁基二甲基甲硅烷基)-1-甲基-1H-咪唑

Database IDs

• CAS Number: 160425-48-9
• MDL Number: MFCD01863660
• PubChem SID: 162240120; 24873538
• PubChem CID: 4547244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9208709
• LogD (pH = 7.4): 2.8751547
• Log P: 3.0044
• Molar Refractivity: 53.3996 cm^3
• Polarizability: 22.88658 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 31-35 °C(lit.)
• Boiling Point: 250-260 °C(lit.)
• Flash Point: 104 °C; 219.2 °F

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H20N2Si

DETAILS

Sigma Aldrich - 510890

Packaging
10 g in glass bottle