1,1-dimethylsiletane

• ChemBase ID: 152154
• Molecular Formular: C5H12Si
• Molecular Mass: 100.23428
• Monoisotopic Mass: 100.07082692
• SMILES: C[Si]1(CCC1)C
• Canonical SMILES: C[Si]1(C)CCC1
• InChI: InChI=1S/C5H12Si/c1-6(2)4-3-5-6/h3-5H2,1-2H3
• InChIKey: YQQFFTNDQFUNHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethylsiletane
• IUPAC Traditional name: 1,1-dimethylsiletane
• Synonyms: 1,1-Dimethylsilacyclobutane; Dimethyltrimethylenesilane; 1,1-Dimethylsiletane; 1,1-二甲基硅杂环丁烷; 二甲基三亚甲基硅烷; 1,1-二甲基硅代环丁烷

Database IDs

• CAS Number: 2295-12-7
• EC Number: 218-939-1
• MDL Number: MFCD00039674
• Beilstein Number: 102434
• PubChem SID: 24866026; 162246299
• PubChem CID: 75300

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9313
• LogD (pH = 7.4): 1.9313
• Log P: 1.9313
• Molar Refractivity: 25.1912 cm^3
• Polarizability: 12.148064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 23 °F; -5 °C
• Density: 0.777 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.428

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• 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 2

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C5H12Si

DETAILS

Sigma Aldrich - 41571

Other Notes
Reactive silicon compound undergoing various insertion reactions giving 5- and 6-membered rings1,2,3
Packaging
10 mL in glass bottle