trichloro(phenyl)silane

• ChemBase ID: 158729
• Molecular Formular: C6H5Cl3Si
• Molecular Mass: 211.5484
• Monoisotopic Mass: 209.92260973
• SMILES: c1ccc(cc1)[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: ORVMIVQULIKXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(phenyl)silane
• IUPAC Traditional name: phenyltrichlorosilane
• Synonyms: Trichlorophenylsilane; Phenyltrichlorosilane; Trichloro(phenyl)silane; Phenyltrichlorosilane; Trichloro(phenyl)silane; 苯基三氯硅烷; Dow Corning® 产品 Z-1216; 苯基三氯硅烷; 三氯苯硅烷

Database IDs

• CAS Number: 98-13-5
• EC Number: 202-640-8
• MDL Number: MFCD00000479
• Beilstein Number: 508730
• PubChem SID: 24867567; 162252865
• PubChem CID: 7372

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5507
• LogD (pH = 7.4): 3.5507
• Log P: 3.5507
• Molar Refractivity: 43.8832 cm^3
• Polarizability: 18.823553 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -127°C
• Boiling Point: 201 °C(lit.); 201°C
• Flash Point: 195.8 °F; 91 °C; 91°C(195°F)
• Density: 1.321 g/mL at 25 °C(lit.); 1.324
• Refractive Index: 1.5230; n20/D 1.523(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV6650000
• European Hazard Symbols: Toxic (T)
• UN Number: 1804; UN1804
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21/22-23-34; 21-23-34
• Safety Statements: 23-26-36/37/39-45; 8-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314-H330; H330-H312-H314-H318-H227
• GHS Precautionary statements: P260-P280-P284-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 1804 8/PG 2

Product Information

• Purity: ≥97.0%; 95+%; 97%
• Linear Formula: C6H5SiCl3

DETAILS

Sigma Aldrich - 440108

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™