1-bromopropane; silanone

• ChemBase ID: 150590
• Molecular Formular: C3H9BrOSi
• Molecular Mass: 169.09246
• Monoisotopic Mass: 167.96060344
• SMILES: CCCBr.O=[SiH2]
• Canonical SMILES: CCCBr.O=[SiH2]
• InChI: InChI=1S/C3H7Br.H2OSi/c1-2-3-4;1-2/h2-3H2,1H3;2H2
• InChIKey: MHCVEVAMXYXCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromopropane; silanone
• IUPAC Traditional name: 1-bromopropane; silicon monoxide
• Synonyms: Bromide-3 functionalized silica gel; 4-Bromopropyl-functionalized silica gel; 4-溴丙基官能化硅胶

Database IDs

• MDL Number: MFCD03096007
• PubChem SID: 162244751; 24879284
• PubChem CID: 16217119

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9008404
• LogD (pH = 7.4): 1.9008404
• Log P: 1.9008404
• Molar Refractivity: 23.5684 cm^3
• Polarizability: 9.060646 Å^3

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1.5 mmol/g loading

DETAILS

Sigma Aldrich - 552658

Packaging
5, 25, 100 g in glass bottle