cyclopenta-2,4-dien-1-yltrimethylsilane

• ChemBase ID: 146694
• Molecular Formular: C8H14Si
• Molecular Mass: 138.28226
• Monoisotopic Mass: 138.08647698
• SMILES: C[Si](C)(C)C1C=CC=C1
• Canonical SMILES: C[Si](C1C=CC=C1)(C)C
• InChI: InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,1-3H3
• InChIKey: VMFHCJPMKUTMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopenta-2,4-dien-1-yltrimethylsilane
• IUPAC Traditional name: cyclopenta-2,4-dien-1-yltrimethylsilane
• Synonyms: NSC 176274; Trimethylsilyl cyclopentadiene, mixture of isomers; Trimethylsilylcyclopentadiene, mixture of isomers; 三甲基硅基环戊二烯，异构体混合物; 三甲硅烷基环戊二烯

Database IDs

• CAS Number: 3559-74-8
• MDL Number: MFCD00010666
• PubChem SID: 162240886; 24855613
• PubChem CID: 91288

CALCULATED PROPERTIES

• Acid pKa: 15.854855
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0146
• LogD (pH = 7.4): 3.0146
• Log P: 3.0146
• Molar Refractivity: 40.6332 cm^3
• Polarizability: 17.218252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 138-140 °C(lit.); 138-140°C
• Flash Point: 29 °C; 29°C(84°F); 84.2 °F
• Density: 0.833; 0.833 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.471(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: tech. 90%
• Empirical Formula (Hill Notation): C8H14Si

DETAILS

Sigma Aldrich - 257885

Packaging
1, 10 g in glass bottle
Application
Reactant involved in:
• Diels-Alder reactions1,2
• Synthesis of ring-functionalized molybdenocene complexes3
• Allyl isomerization4
• Aromatization of C5 rings5
• Synthesis of N-hydroxyindoles via nucleophilic addition6