propanoyl chloride; silanone

• ChemBase ID: 145620
• Molecular Formular: C3H7ClO2Si
• Molecular Mass: 138.62498
• Monoisotopic Mass: 137.99038368
• SMILES: CCC(=O)Cl.O=[SiH2]
• Canonical SMILES: CCC(=O)Cl.O=[SiH2]
• InChI: InChI=1S/C3H5ClO.H2OSi/c1-2-3(4)5;1-2/h2H2,1H3;2H2
• InChIKey: IYPMNWVACSXYDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanoyl chloride; silanone
• IUPAC Traditional name: propanoyl chloride; silicon monoxide
• Synonyms: Carboxychloro-2-functionalized silica gel; Propionyl chloride-functionalized silica gel; 羧基氯-2-官能化硅胶; 丙酰氯官能化硅胶

Database IDs

• MDL Number: MFCD03101139
• PubChem SID: 24878264; 162239825
• PubChem CID: 16217008

CALCULATED PROPERTIES

• Acid pKa: 19.905334
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0105197
• LogD (pH = 7.4): 1.0105197
• Log P: 1.0105197
• Molar Refractivity: 21.1291 cm^3
• Polarizability: 8.256541 Å^3
• Polar Surface Area: 17.07 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
• 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 mmol/g loading

DETAILS

Sigma Aldrich - 538078

Application
Scavenges primary & secondary amines and alcohols
Packaging
5, 25 g in glass bottle