4-(2,4-dichlorophenoxy)butanehydrazide

• ChemBase ID: 21626
• Molecular Formular: C10H12Cl2N2O2
• Molecular Mass: 263.12048
• Monoisotopic Mass: 262.02758299
• SMILES: c1(cc(ccc1OCCCC(=O)NN)Cl)Cl
• Canonical SMILES: NNC(=O)CCCOc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C10H12Cl2N2O2/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,13H2,(H,14,15)
• InChIKey: RDBMCLKAWBSLHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dichlorophenoxy)butanehydrazide
• IUPAC Traditional name: 4-(2,4-dichlorophenoxy)butanehydrazide
• Synonyms: 4-(2,4-Dichlorophenoxy)butanohydrazide; 4-(2,4-Dichlorophenoxy)butanoic acid hydrazide; 4-(2,4-Dichlorophenoxy)butanohydrazide; 4-(2,4-Dichloro-phenoxy)-butyric acid hydrazide

Database IDs

• MDL Number: MFCD01248815
• PubChem SID: 160984933
• PubChem CID: 1678172

CALCULATED PROPERTIES

• Acid pKa: 11.218345
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9213473
• LogD (pH = 7.4): 1.9238099
• Log P: 1.9239029
• Molar Refractivity: 63.9761 cm^3
• Polarizability: 24.84818 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90 °C; 88-90°C; 97 - 98°C
• Hydrophobicity(logP): 2.279

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%