bromobenzene; silanone

• ChemBase ID: 138646
• Molecular Formular: C6H7BrOSi
• Molecular Mass: 203.10868
• Monoisotopic Mass: 201.94495338
• SMILES: c1ccc(cc1)Br.O=[SiH2]
• Canonical SMILES: Brc1ccccc1.O=[SiH2]
• InChI: InChI=1S/C6H5Br.H2OSi/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H2
• InChIKey: VTODGDDYZCQOTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromobenzene; silanone
• IUPAC Traditional name: bromobenzene; silicon monoxide
• Synonyms: 4-Bromophenyl-functionalized silica gel; 4-溴苯基官能化硅胶

Database IDs

• MDL Number: MFCD03096006
• PubChem SID: 162232897
• PubChem CID: 45052166

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7419984
• LogD (pH = 7.4): 2.7419984
• Log P: 2.7419984
• Molar Refractivity: 33.6808 cm^3
• Polarizability: 13.090294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

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: 1.0 mmol/g loading