2-(2,4-dichlorophenoxy)acetohydrazide

• ChemBase ID: 27178
• Molecular Formular: C8H8Cl2N2O2
• Molecular Mass: 235.06732
• Monoisotopic Mass: 233.99628287
• SMILES: C(=O)(NN)COc1c(cc(cc1)Cl)Cl
• Canonical SMILES: NNC(=O)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C8H8Cl2N2O2/c9-5-1-2-7(6(10)3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: OEYOIIKYUVBUJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)acetohydrazide
• Synonyms: 2-(2,4-Dichlorophenoxy)acetohydrazide; 2,4-Dichlorophenoxyacetic acid hydrazide; 2,4-Dichlorophenoxyacetic acid hydrazide; 2,4-二氯苯氧基乙酰肼

Database IDs

• CAS Number: 28236-62-6
• EC Number: 000-000-0
• MDL Number: MFCD00051972
• Beilstein Number: 986266
• PubChem SID: 160990485
• PubChem CID: 312330

CALCULATED PROPERTIES

• Acid pKa: 10.190403
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3967892
• LogD (pH = 7.4): 1.3975742
• Log P: 1.3982289
• Molar Refractivity: 54.5217 cm^3
• Polarizability: 21.20515 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-152°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%