1-(TRIMETHYLSILYLOXY)-1 3-BUTADIENE 98% MIXTURE OF ISOMERS (C005B-055944)

General description

Mechanism of Diels-Alder reaction between 1-(trimethylsiloxy)-1,3-butadiene and 4,6-dinitrobenzofuroxan has been studied using state-of-the-art computational methods.

Application

1-(Trimethylsiloxy)-1,3-butadiene is commonly employed as diene in the Diels-Alder reaction.

Molecular Weight: 142.27. Empirical Formula: C₇H₁₄OSi. linearFormula: (CH₃)₃SiOCH: CHCH: CH₂. Assay: 98%. form: liquid. refractive index: n20/D 1.448 (lit.). bp: 131 . °C (lit.). density: 0.811 . g/mL . at 25 . °C (lit.). storage temp.: 2-8°C. SMILES string: C[Si](C)(C)O\C: C\C: C. InChI: 1S/C7H14OSi/c1-5-6-7-8-9(2,3)4/h5-7H,1H2,2-4H3/b7-6+. InChI key: UQGOYQLRRBTVFM-VOTSOKGWSA-N. Pictograms: GHS02,GHS07. Signal Word: Warning. Hazard Statements: H226 - H315 - H319 - H335. Precautionary Statements: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338. Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3. Target Organs: Respiratory system. Storage Class Code: 3 - Flammable liquids. WGK: WGK 3. Flash Point(F): 77.0 °F - closed cup. Flash Point(C): 25 °C - closed cup. Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter.