di-tert-butyldichlorosilane

• ChemBase ID: 149091
• Molecular Formular: C8H18Cl2Si
• Molecular Mass: 213.22002
• Monoisotopic Mass: 212.05548247
• SMILES: CC(C)(C)[Si](C(C)(C)C)(Cl)Cl
• Canonical SMILES: CC([Si](C(C)(C)C)(Cl)Cl)(C)C
• InChI: InChI=1S/C8H18Cl2Si/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3
• InChIKey: PDYPRPVKBUOHDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyldichlorosilane
• IUPAC Traditional name: di-tert-butyldichlorosilane
• Synonyms: DTBSCl2; Di-tert-butyldichlorosilane; Di-tert-butyldichlorosilane; Dichloro-di-tert-butylsilane; 二叔丁基二氯硅烷

Database IDs

• CAS Number: 18395-90-9
• EC Number: 242-273-0
• MDL Number: MFCD00008796
• Beilstein Number: 1739236
• PubChem SID: 162243259; 24857284
• PubChem CID: 87624

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2446
• LogD (pH = 7.4): 3.2446
• Log P: 3.2446
• Molar Refractivity: 51.2772 cm^3
• Polarizability: 22.042841 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -15 °C(lit.); -15°C
• Boiling Point: 190 °C/729 mmHg(lit.); 190-191°C
• Flash Point: 64°C(147°F)
• Density: 1.008; 1.009 g/mL at 25 °C(lit.)
• Refractive Index: 1.4570; n20/D 1.457(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2987; UN2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; 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 2987 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 95+%; 98%
• Linear Formula: [(CH3)3C]2SiCl2

DETAILS

Sigma Aldrich - 287660

Packaging
5, 25 g in glass bottle
Application
Reagent used for preparing siliranes1 and protecting diols.2

REFERENCES

• Reagent for the protection (see Appendix 4) of 1,2- and 1,3-diols as di-tert-butylsilylene derivatives, formed by reaction in the presence of triethylamine and 1-hydroxybenzotriazole: Tetrahedron Lett., 22, 4999 (1981). The group shows enhanced stability to hydrolysis relative to dimethylsilylene but can be readily cleaved with fluoride, e.g. HF in acetonitrile or pyridine-HF: J. Org. Chem., 48, 3252 (1983); J. Am. Chem. Soc., 112, 7001 (1990).