chlorotrihexylsilane

• ChemBase ID: 111889
• Molecular Formular: C18H39ClSi
• Molecular Mass: 319.04076
• Monoisotopic Mass: 318.25095546
• SMILES: CCCCCC[Si](Cl)(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCC[Si](CCCCCC)(CCCCCC)Cl
• InChI: InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
• InChIKey: WZQSBCHNVPAYOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotrihexylsilane
• IUPAC Traditional name: chlorotrihexylsilane
• Synonyms: TRIHEXYLCHLOROSILANE; Chlorotrihexylsilane; 氯三己基硅烷

Database IDs

• CAS Number: 3634-67-1
• EC Number: 222-851-9
• MDL Number: MFCD00000510
• PubChem SID: 24855383; 162097325
• PubChem CID: 77188

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.9072
• LogD (pH = 7.4): 7.9072
• Log P: 7.9072
• Molar Refractivity: 92.62 cm^3
• Polarizability: 38.639915 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 153.5-154 °C/5 mmHg(lit.); 155°C
• Flash Point: 113 °C; 235.4 °F
• Density: 0.871 g/ml; 0.871 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2987 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: [CH3(CH2)5]3SiCl

DETAILS

MP Biomedicals - 05221574

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254444

Packaging
5, 25 g in glass bottle