(chloromethyl)benzene; silanone

• ChemBase ID: 150400
• Molecular Formular: C7H9ClOSi
• Molecular Mass: 172.68426
• Monoisotopic Mass: 172.01111912
• SMILES: c1ccc(cc1)CCl.O=[SiH2]
• Canonical SMILES: ClCc1ccccc1.[SiH2]=O
• InChI: InChI=1S/C7H7Cl.H2OSi/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;2H2
• InChIKey: ISRDIMXGLZQEAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)benzene; silanone
• IUPAC Traditional name: benzyl chloride; silicon monoxide
• Synonyms: Phenylmethyl chloride functionalized silica gel; 4-Benzyl chloride-functionalized silica gel; 苯甲基氯官能化硅胶; 4-苄氯官能化硅胶

Database IDs

• MDL Number: MFCD03095998
• PubChem SID: 24879283; 162244561
• PubChem CID: 16217118

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.560488
• LogD (pH = 7.4): 2.560488
• Log P: 2.560488
• Molar Refractivity: 35.9249 cm^3
• Polarizability: 13.9815035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• 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: 1.2 mmol/g loading

DETAILS

Sigma Aldrich - 552631

Packaging
5 g in glass bottle