trichloro[4-(chloromethyl)phenyl]silane

• ChemBase ID: 302460
• Molecular Formular: C7H6Cl4Si
• Molecular Mass: 260.02004
• Monoisotopic Mass: 257.89928744
• SMILES: c1cc(ccc1CCl)[Si](Cl)(Cl)Cl
• Canonical SMILES: ClCc1ccc(cc1)[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C7H6Cl4Si/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
• InChIKey: YBYBQFPZMKPGPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro[4-(chloromethyl)phenyl]silane
• IUPAC Traditional name: trichloro[4-(chloromethyl)phenyl]silane
• Synonyms: Trichloro[4-(chloromethyl)phenyl]silane; 4-Trichlorosilylbenzyl chloride; 4-(Chloromethyl)phenyltrichlorosilane; 4-氯甲基苯基三氯硅烷

Database IDs

• CAS Number: 13688-90-9
• EC Number: 237-203-0
• MDL Number: MFCD00045268
• Beilstein Number: 3090295

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1621
• LogD (pH = 7.4): 4.1621
• Log P: 4.1621
• Molar Refractivity: 53.7501 cm^3
• Polarizability: 22.548904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142-144°C/15mm
• Flash Point: 78°C(172°F)
• Density: 1.361
• Refractive Index: 1.5480

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2987
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%