2-ethylpropanedioyl dichloride

• ChemBase ID: 797304
• Molecular Formular: C5H6Cl2O2
• Molecular Mass: 169.00594
• Monoisotopic Mass: 167.97448479
• SMILES: C(C(=O)Cl)(C(=O)Cl)CC
• Canonical SMILES: CCC(C(=O)Cl)C(=O)Cl
• InChI: InChI=1S/C5H6Cl2O2/c1-2-3(4(6)8)5(7)9/h3H,2H2,1H3
• InChIKey: IPOVOSHRRIJKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpropanedioyl dichloride
• IUPAC Traditional name: 2-ethylpropanedioyl dichloride
• Synonyms: Ethyl Malonyl chloride

Database IDs

• CAS Number: 36239-09-5

CALCULATED PROPERTIES

• Acid pKa: 5.8278823
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5573947
• LogD (pH = 7.4): 0.2524795
• Log P: 1.723097
• Molar Refractivity: 35.8803 cm^3
• Polarizability: 14.0154705 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%