chloro(ethenyl)methyl(phenyl)silane

• ChemBase ID: 152652
• Molecular Formular: C9H11ClSi
• Molecular Mass: 182.72214
• Monoisotopic Mass: 182.03185456
• SMILES: C[Si](C=C)(c1ccccc1)Cl
• Canonical SMILES: C=C[Si](c1ccccc1)(Cl)C
• InChI: InChI=1S/C9H11ClSi/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3
• InChIKey: GSXJAPJSIVGONK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(ethenyl)methyl(phenyl)silane
• IUPAC Traditional name: chloro(ethenyl)methyl(phenyl)silane
• Synonyms: Methyl-phenyl-vinylchlorosilane; Chloro-methyl-phenyl-vinylsilane; 甲基苯基乙烯基氯硅烷

Database IDs

• CAS Number: 17306-05-7
• EC Number: 241-333-3
• MDL Number: MFCD00053208
• Beilstein Number: 2935625
• PubChem SID: 24885710; 162246796
• PubChem CID: 87042

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8389
• LogD (pH = 7.4): 2.8389
• Log P: 2.8389
• Molar Refractivity: 46.873 cm^3
• Polarizability: 20.351608 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79 °C/3 mmHg(lit.)
• Flash Point: 161.6 °F; 72 °C
• Density: 1.040 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.520

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-28-36/37/39-45
• 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: ≥95% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C9H11ClSi

DETAILS

Sigma Aldrich - 68755

Packaging
10 mL in glass bottle