4-ethylbenzene-1-sulfonyl chloride; silanone

• ChemBase ID: 146545
• Molecular Formular: C8H11ClO3SSi
• Molecular Mass: 250.77464
• Monoisotopic Mass: 249.98866942
• SMILES: CCc1ccc(cc1)S(=O)(=O)Cl.O=[SiH2]
• Canonical SMILES: CCc1ccc(cc1)S(=O)(=O)Cl.[SiH2]=O
• InChI: InChI=1S/C8H9ClO2S.H2OSi/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2/h3-6H,2H2,1H3;2H2
• InChIKey: PLUQKCYOAGXSJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylbenzene-1-sulfonyl chloride; silanone
• IUPAC Traditional name: 4-ethylbenzenesulfonyl chloride; silicon monoxide
• Synonyms: Chlorosulfo-2Ar functionalized silica gel; 4-Ethyl benzenesulfonyl chloride-functionalized silica gel; 4-乙基苯磺酰氯-官能化硅胶

Database IDs

• CAS Number: 1173018-58-0
• MDL Number: MFCD03096016
• PubChem SID: 24878257; 162240739
• PubChem CID: 16217005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.877539
• LogD (pH = 7.4): 2.877539
• Log P: 2.877539
• Molar Refractivity: 49.8944 cm^3
• Polarizability: 19.984867 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

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

DETAILS

Sigma Aldrich - 537977

Application
Scavenges amines and alcohols.
Packaging
5, 25, 100 g in glass bottle