trichloro(octadecyl)silane

• ChemBase ID: 104447
• Molecular Formular: C18H37Cl3Si
• Molecular Mass: 387.93088
• Monoisotopic Mass: 386.17301076
• SMILES: CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
• InChIKey: PYJJCSYBSYXGQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(octadecyl)silane
• IUPAC Traditional name: octadecyltrichlorosilane
• Synonyms: Trichlorooctadecylsilane; Stearyltrichlorosilane; n-Octadecyltrichlorosilane; Trichloro(octadecyl)silane; Trichloroctadecylsilane; OCTADECYLTRICHLOROSILANE; Octadecyltrichlorosilane; Trichloro(octadecyl)silane; 正十八烷基三氯硅烷; 十八烷基三氯硅烷; 三氯(十八烷基)硅烷

Database IDs

• CAS Number: 112-04-9
• EC Number: 203-930-7
• MDL Number: MFCD00000484
• Beilstein Number: 1778847
• PubChem SID: 162092781; 24846677
• PubChem CID: 8157

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.6854
• LogD (pH = 7.4): 8.6854
• Log P: 8.6854
• Molar Refractivity: 102.1456 cm^3
• Polarizability: 42.268814 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ca 20°C
• Boiling Point: 160-162°C/3mm; 223 °C/10 mmHg(lit.); 223°C @ 10 mm
• Flash Point: 189°C(372°F); 192.2 °F; 89 °C; 89.4°C
• Density: 0.984; 0.984 g/ml; 0.984 g/mL at 25 °C(lit.)
• Refractive Index: 1.4600; n20/D 1.459; n20/D 1.459(lit.)
• Vapor Pressure: <5 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Condition: 2-8°C, Desiccate, Store Under Nitrogen
• Storage Warning: Moisture Sensitive
• RTECS: VV4680000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1800; UN1800
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 4W
• Risk Statements: 14-34; R:9-14-34; R:9-34
• Safety Statements: 26-36/37/39-43-45; 8-26-36/37/39-45; S:17-27/28-30-36/37/39-45; S:17-27/28-36/37/39-45
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 156
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310-P402
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1800 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥85% (GC); ≥90%; 95%, cont. 5-10% branched isomers; 95+%
• Grade: technical
• Linear Formula: CH3(CH2)17SiCl3

DETAILS

MP Biomedicals - 02155967

May polymerize during storage causing haziness.

MP Biomedicals - 05216440

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 104817

Packaging
25, 100, 500 g in glass bottle