butylsilane

• ChemBase ID: 152527
• Molecular Formular: C4H12Si
• Molecular Mass: 88.22358
• Monoisotopic Mass: 88.07082692
• SMILES: CCCC[SiH3]
• Canonical SMILES: CCCC[SiH3]
• InChI: InChI=1S/C4H12Si/c1-2-3-4-5/h2-4H2,1,5H3
• InChIKey: YXMVRBZGTJFMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butylsilane
• IUPAC Traditional name: butylsilane
• Synonyms: Butylsilane; 丁基硅烷

Database IDs

• CAS Number: 1600-29-9
• MDL Number: MFCD00040079
• Beilstein Number: 1730905
• PubChem SID: 162246672; 24852361
• PubChem CID: 6365049

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4099
• LogD (pH = 7.4): 0.4099
• Log P: 0.4099
• Molar Refractivity: 21.8719 cm^3
• Polarizability: 11.039737 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 56.7 °C(lit.)
• Flash Point: 21.2 °F; -6 °C
• Density: 0.68 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.392

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-33-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C4H12Si

DETAILS

Sigma Aldrich - 20591

Packaging
5 mL in glass bottle