1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

• ChemBase ID: 78276
• Molecular Formular: C9H22BrNSi2
• Molecular Mass: 280.35268
• Monoisotopic Mass: 279.04741477
• SMILES: [Si]1(C)(C)CC[Si](N1CCCBr)(C)C
• Canonical SMILES: BrCCCN1[Si](C)(C)CC[Si]1(C)C
• InChI: InChI=1S/C9H22BrNSi2/c1-12(2)8-9-13(3,4)11(12)7-5-6-10/h5-9H2,1-4H3
• InChIKey: BKBUBAVZGMRPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
• IUPAC Traditional name: 1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
• Synonyms: 1-(3-Bromopropyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane; 1-Aza-1-(3-bromoprop-1-yl)-2,5-disila-2,2,5,5-tetramethylcyclopentane; 1-(3-Bromoprop-1-yl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine; 1-(3-溴丙基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷

Database IDs

• CAS Number: 95091-93-3
• MDL Number: MFCD00274342
• PubChem SID: 24869593; 162043060
• PubChem CID: 4292411

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.47757524
• LogD (pH = 7.4): -0.45474657
• Log P: 2.9987
• Molar Refractivity: 58.7666 cm^3
• Polarizability: 26.624214 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80 °C/0.5 mmHg(lit.); 80°C/0.5mm
• Flash Point: 35 °C; 35°C; 95 °F
• Density: 1.126; 1.126 g/mL at 25 °C(lit.)
• Refractive Index: 1.484; n20/D 1.484(lit.)

Safety Information

• Storage Warning: Flammable
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H22BrNSi2

DETAILS

Sigma Aldrich - 459739

Packaging
5 g in glass bottle