trichloro(4-chlorophenyl)silane

• ChemBase ID: 134824
• Molecular Formular: C6H4Cl4Si
• Molecular Mass: 245.99346
• Monoisotopic Mass: 243.88363738
• SMILES: c1cc(ccc1[Si](Cl)(Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
• InChIKey: ABADVTXFGWCNBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(4-chlorophenyl)silane
• IUPAC Traditional name: trichloro(4-chlorophenyl)silane
• Synonyms: Trichloro(4-chlorophenyl)silane; 氯苯基三氯硅烷

Database IDs

• CAS Number: 825-94-5
• EC Number: 212-551-6
• MDL Number: MFCD00053181
• PubChem SID: 24882297; 162229100
• PubChem CID: 70002

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0687
• LogD (pH = 7.4): 4.0687
• Log P: 4.0687
• Molar Refractivity: 48.688 cm^3
• Polarizability: 20.78113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Boiling Point: 105 °C/15 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.424 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.544(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• 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: ClC6H4SiCl3