2-(tert-butylselanyl)-2-methylpropane

• ChemBase ID: 138451
• Molecular Formular: C8H18Se
• Molecular Mass: 193.18852
• Monoisotopic Mass: 194.05737158
• SMILES: CC(C)(C)[Se]C(C)(C)C
• Canonical SMILES: CC([Se]C(C)(C)C)(C)C
• InChI: InChI=1S/C8H18Se/c1-7(2,3)9-8(4,5)6/h1-6H3
• InChIKey: OZCBRUAHGPOZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylselanyl)-2-methylpropane
• IUPAC Traditional name: 2-(tert-butylselanyl)-2-methylpropane
• Synonyms: Di-tert-butyl selenide; 二叔丁基硒化物

Database IDs

• CAS Number: 34172-60-6
• MDL Number: MFCD01863676
• PubChem SID: 162232707; 24873545
• PubChem CID: 4348293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6559
• LogD (pH = 7.4): 1.6559
• Log P: 1.6559
• Molar Refractivity: 52.1195 cm^3
• Polarizability: 15.22278 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 123 °C(lit.)
• Density: 1.048 g/mL at 25 °C(lit.)
• Vapor Pressure: 16 mmHg ( 54 °C)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25
• Safety Statements: 23-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2

Product Information

• Purity: ≥99.99%
• Grade: electronic grade
• Linear Formula: Se(C(CH3)3)2

DETAILS

Sigma Aldrich - 511501

Packaging
5 g in ampule