chlorodimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

• ChemBase ID: 147270
• Molecular Formular: C11H19ClSi
• Molecular Mass: 214.80706
• Monoisotopic Mass: 214.09445482
• SMILES: CC1=C(C(=C(C1[Si](C)(C)Cl)C)C)C
• Canonical SMILES: CC1=C(C)C(=C(C1[Si](Cl)(C)C)C)C
• InChI: InChI=1S/C11H19ClSi/c1-7-8(2)10(4)11(9(7)3)13(5,6)12/h11H,1-6H3
• InChIKey: QTMBNCMQGRJAAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• IUPAC Traditional name: chlorodimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• Synonyms: Chlorodimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane; 二甲基氯(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷

Database IDs

• CAS Number: 125542-03-2
• MDL Number: MFCD00674029
• PubChem SID: 162241460; 24869091
• PubChem CID: 5045335

CALCULATED PROPERTIES

• Acid pKa: 15.407849
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5136
• LogD (pH = 7.4): 3.5136
• Log P: 3.5136
• Molar Refractivity: 58.8874 cm^3
• Polarizability: 24.51732 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50 °C/0.05 mmHg(lit.)
• Flash Point: 132.8 °F; 56 °C
• Density: 0.972 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.496(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2986 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H19ClSi

DETAILS

Sigma Aldrich - 455881

Packaging
1, 5 g in glass bottle