(chloromethyl)dimethylphenylsilane

• ChemBase ID: 150656
• Molecular Formular: C9H13ClSi
• Molecular Mass: 184.73802
• Monoisotopic Mass: 184.04750463
• SMILES: C[Si](C)(CCl)c1ccccc1
• Canonical SMILES: ClC[Si](c1ccccc1)(C)C
• InChI: InChI=1S/C9H13ClSi/c1-11(2,8-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChIKey: RJCTVFQQNCNBHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)dimethylphenylsilane
• IUPAC Traditional name: (chloromethyl)dimethylphenylsilane
• Synonyms: (Chloromethyl)dimethylphenylsilane; (Chloromethyl)dimethyl(phenyl)silane; 二甲基氯甲基苯基硅烷

Database IDs

• CAS Number: 1833-51-8
• EC Number: 217-392-6
• MDL Number: MFCD00040858
• Beilstein Number: 2935991
• PubChem SID: 162244817; 24861464
• PubChem CID: 74598

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4162
• LogD (pH = 7.4): 4.4162
• Log P: 4.4162
• Molar Refractivity: 46.6088 cm^3
• Polarizability: 20.599371 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106-107 °C/15 mmHg(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 1.024 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.520; n20/D 1.520(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: C6H5Si(CH3)2CH2Cl

DETAILS

Sigma Aldrich - 347094

Packaging
10, 50 g in glass bottle