2-(2-chloroethoxy)acetyl chloride

• ChemBase ID: 164267
• Molecular Formular: C4H6Cl2O2
• Molecular Mass: 156.99524
• Monoisotopic Mass: 155.97448479
• SMILES: ClC(=O)COCCCl
• Canonical SMILES: ClCCOCC(=O)Cl
• InChI: InChI=1S/C4H6Cl2O2/c5-1-2-8-3-4(6)7/h1-3H2
• InChIKey: RTSGMUHVJLAAAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethoxy)acetyl chloride
• IUPAC Traditional name: 2-(2-chloroethoxy)acetyl chloride
• Synonyms: 2-(2-Chloroethoxy)acetyl Chloride

Database IDs

• CAS Number: 39229-33-9
• PubChem SID: 162258402
• PubChem CID: 19048420

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8003522
• LogD (pH = 7.4): 0.8003522
• Log P: 0.8003522
• Molar Refractivity: 32.2989 cm^3
• Polarizability: 12.77485 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO
• Apperance: Light Yellow Oil

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere