tributyl(chloro)silane

• ChemBase ID: 151228
• Molecular Formular: C12H27ClSi
• Molecular Mass: 234.88128
• Monoisotopic Mass: 234.15705508
• SMILES: CCCC[Si](CCCC)(CCCC)Cl
• Canonical SMILES: CCCC[Si](CCCC)(CCCC)Cl
• InChI: InChI=1S/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
• InChIKey: JSQJUDVTRRCSRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(chloro)silane
• IUPAC Traditional name: tributyl(chloro)silane
• Synonyms: Chlorotributylsilane; Tributylchlorosilane; Tributylsilyl chloride; Chlorotributylsilane; Tri-n-butylchlorosilane; Tri-n-butylsilyl chloride; Chlorotri-n-butylsilane; Tributylchlorosilane; 三丁基氯硅烷; 三丁基硅基氯; 氯三丁基硅烷; 氯三丁基硅烷; 三-n-丁基氯硅烷; 三丁基氯硅烷

Database IDs

• CAS Number: 995-45-9
• EC Number: 213-627-1
• MDL Number: MFCD00000509
• Beilstein Number: 1742537
• PubChem SID: 24889406; 24857064; 162245384; 24889408
• PubChem CID: 70448

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5294
• LogD (pH = 7.4): 5.5294
• Log P: 5.5294
• Molar Refractivity: 65.014 cm^3
• Polarizability: 27.57164 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 250-252 °C(lit.); 93-94°C/4mm
• Flash Point: 104°C(219°F); 206.6 °F; 97 °C
• Density: 0.879 g/mL at 25 °C(lit.); 0.883
• Refractive Index: 1.4460; n20/D 1.446(lit.); n20/D 1.447

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; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum; Selectophore™
• Linear Formula: [CH3(CH2)3]3SiCl

DETAILS

Sigma Aldrich - 282707

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 90796

Other Notes
Silylating agent1,2

Sigma Aldrich - 90794

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• Silylating agent.