dichloro(methyl)phenylsilane

• ChemBase ID: 149830
• Molecular Formular: C7H8Cl2Si
• Molecular Mass: 191.12992
• Monoisotopic Mass: 189.97723215
• SMILES: C[Si](c1ccccc1)(Cl)Cl
• Canonical SMILES: C[Si](c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
• InChIKey: GNEPOXWQWFSSOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)phenylsilane
• IUPAC Traditional name: dichloromethylphenylsilane
• Synonyms: Methyl-phenyl-dichlorosilane; Dichloro(methyl)phenylsilane; Methylphenyldichlorosilane; Phenylmethyldichlorosilane; Dichloromethylphenylsilane; 甲基苯基二氯硅烷; 二氯甲基苯基硅烷

Database IDs

• CAS Number: 149-74-6
• EC Number: 205-746-2
• MDL Number: MFCD00000490
• Beilstein Number: 970975
• PubChem SID: 162243992; 24867568
• PubChem CID: 9006

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6429
• LogD (pH = 7.4): 2.6429
• Log P: 2.6429
• Molar Refractivity: 43.6926 cm^3
• Polarizability: 18.750448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 205 °C(lit.); 205-206°C
• Flash Point: 152.6 °F; 67 °C; 82°C(179°F)
• Density: 1.173; 1.176 g/mL at 25 °C(lit.)
• Refractive Index: 1.5190; n20/D 1.519; n20/D 1.519(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV3530000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2437; UN2437
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-43-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• 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 2437 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: C6H5Si(CH3)Cl2

DETAILS

Sigma Aldrich - 440116

Packaging
100, 500 mL in Sure/Seal™

Sigma Aldrich - 68650

Other Notes
Silylating agent for diols and other bifunctional compounds1,2

REFERENCES

• Bifunctional reagent for the preparation of methylphenylsilyl derivatives of diols.