di-tert-butyl(chloro)silane

• ChemBase ID: 149264
• Molecular Formular: C8H19ClSi
• Molecular Mass: 178.77496
• Monoisotopic Mass: 178.09445482
• SMILES: CC(C)(C)[SiH](C(C)(C)C)Cl
• Canonical SMILES: Cl[SiH](C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C8H19ClSi/c1-7(2,3)10(9)8(4,5)6/h10H,1-6H3
• InChIKey: OGWXFZNXPZTBST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyl(chloro)silane
• IUPAC Traditional name: di-tert-butyl(chloro)silane
• Synonyms: Chloro-di-tert-butylsilane; Di-tert-butylchlorosilane; 氯化二叔丁基硅烷; 二叔丁基氯硅烷

Database IDs

• CAS Number: 56310-18-0
• MDL Number: MFCD00010755
• Beilstein Number: 2203045
• PubChem SID: 162243432; 24857888; 24861415
• PubChem CID: 6328978

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8621
• LogD (pH = 7.4): 1.8621
• Log P: 1.8621
• Molar Refractivity: 45.9409 cm^3
• Polarizability: 20.199512 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-84 °C/45 mmHg(lit.)
• Flash Point: 102.2 °F; 39 °C
• Density: 0.884 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.441; n20/D 1.441(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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

Product Information

• Purity: ≥97.0% (GC); 99%
• Grade: purum
• Linear Formula: [(CH3)3C]2SiHCl

DETAILS

Sigma Aldrich - 296937

Packaging
10, 25 g in glass bottle