trichloro(hexyl)silane

• ChemBase ID: 145661
• Molecular Formular: C6H13Cl3Si
• Molecular Mass: 219.61192
• Monoisotopic Mass: 217.98520999
• SMILES: CCCCCC[Si](Cl)(Cl)Cl
• Canonical SMILES: CCCCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
• InChIKey: LFXJGGDONSCPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(hexyl)silane
• IUPAC Traditional name: hexyltrichlorosilane
• Synonyms: Hexyltrichlorosilane; Trichloro(hexyl)silane; 己基三氯硅烷; 三氯(己基)硅烷

Database IDs

• CAS Number: 928-65-4
• EC Number: 213-178-1
• MDL Number: MFCD00013606
• Beilstein Number: 1739071
• PubChem SID: 24868311; 162239865
• PubChem CID: 13571

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9298
• LogD (pH = 7.4): 3.9298
• Log P: 3.9298
• Molar Refractivity: 46.9336 cm^3
• Polarizability: 20.283787 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 191-192 °C(lit.)
• Flash Point: 183.2 °F; 84 °C
• Density: 1.107 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443; n20/D 1.443(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1784
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-23/24/25-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P301 + P310-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 1784 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: CH3(CH2)5SiCl3

DETAILS

Sigma Aldrich - 446963

Packaging
25 mL in glass bottle