1H-imidazole; tert-butyl(chloro)dimethylsilane

• ChemBase ID: 138510
• Molecular Formular: C9H19ClN2Si
• Molecular Mass: 218.79906
• Monoisotopic Mass: 218.10060283
• SMILES: CC(C)(C)[Si](C)(C)Cl.c1cnc[nH]1
• Canonical SMILES: c1ncc[nH]1.C[Si](C(C)(C)C)(Cl)C
• InChI: InChI=1S/C6H15ClSi.C3H4N2/c1-6(2,3)8(4,5)7;1-2-5-3-4-1/h1-5H3;1-3H,(H,4,5)
• InChIKey: IFLPAOFWVBWJPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazole; tert-butyl(chloro)dimethylsilane
• IUPAC Traditional name: Him; t-butyldimethylchlorosilane
• Synonyms: BDCS Silylation Reagent; BDCS 甲硅烷基化试剂

Database IDs

• CAS Number: 1185092-02-7
• MDL Number: MFCD02682131
• PubChem SID: 24852850; 162232765
• PubChem CID: 2724131

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.741
• LogD (pH = 7.4): 2.741
• Log P: 2.741
• Molar Refractivity: 37.1988 cm^3
• Polarizability: 16.519724 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 136.4 °F; 58 °C
• Density: 0.959 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 45-20/21/22-34
• Safety Statements: 53-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H314-H350
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2986 8/PG 2