tert-butyltrichlorosilane

• ChemBase ID: 147420
• Molecular Formular: C4H9Cl3Si
• Molecular Mass: 191.55876
• Monoisotopic Mass: 189.95390986
• SMILES: CC(C)(C)[Si](Cl)(Cl)Cl
• Canonical SMILES: CC([Si](Cl)(Cl)Cl)(C)C
• InChI: InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3
• InChIKey: MOOUPSHQAMJMSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyltrichlorosilane
• IUPAC Traditional name: tert-butyltrichlorosilane
• Synonyms: tert-Butyltrichlorosilane; 叔丁基三氯硅烷

Database IDs

• CAS Number: 18171-74-9
• EC Number: 242-059-7
• MDL Number: MFCD00000480
• Beilstein Number: 1736174
• PubChem SID: 24858681; 162241608
• PubChem CID: 87494

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7028
• LogD (pH = 7.4): 2.7028
• Log P: 2.7028
• Molar Refractivity: 37.9112 cm^3
• Polarizability: 16.654259 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-100 °C(lit.); 97-99 °C
• Boiling Point: 132-134 °C(lit.)
• Flash Point: 104 °F; 40 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2925 4.1/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95% (GC); 96%
• Grade: technical
• Linear Formula: (CH3)3CSiCl3

DETAILS

Sigma Aldrich - 308617

Packaging
25, 100 g in glass bottle