trichloro(4-methylphenyl)silane

• ChemBase ID: 148227
• Molecular Formular: C7H7Cl3Si
• Molecular Mass: 225.57498
• Monoisotopic Mass: 223.9382598
• SMILES: Cc1ccc(cc1)[Si](Cl)(Cl)Cl
• Canonical SMILES: Cc1ccc(cc1)[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
• InChIKey: WOMUGKOOLXQCTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(4-methylphenyl)silane
• IUPAC Traditional name: trichloro(4-methylphenyl)silane
• Synonyms: p-Tolyltrichlorosilane; Trichloro(p-tolyl)silane; 4-Methylphenyltrichlorosilane; 对甲苯三氯硅烷

Database IDs

• CAS Number: 701-35-9
• EC Number: 211-854-0
• MDL Number: MFCD00045131
• Beilstein Number: 1866557
• PubChem SID: 162242403; 24866104
• PubChem CID: 69697

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0179
• LogD (pH = 7.4): 4.0179
• Log P: 4.0179
• Molar Refractivity: 48.9244 cm^3
• Polarizability: 20.572191 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 218-220 °C(lit.); 218-220°C
• Flash Point: 210.2 °F; 98°C(208°F); 99 °C
• Density: 1.273 g/mL at 25 °C(lit.); 1.280
• Refractive Index: 1.5240; n20/D 1.5240(lit.)

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: 14-34
• Safety Statements: 23-26-27-36/37/39-45; 8-26-30-36/37/39-45
• 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
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: CH3C6H4SiCl3

DETAILS

Sigma Aldrich - 419354

Packaging
5, 25 g in glass bottle