2-(2,4-dichlorophenoxy)propanehydrazide

• ChemBase ID: 21625
• Molecular Formular: C9H10Cl2N2O2
• Molecular Mass: 249.0939
• Monoisotopic Mass: 248.01193293
• SMILES: C(=O)(C(Oc1c(cc(cc1)Cl)Cl)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1Cl)Cl)C
• InChI: InChI=1S/C9H10Cl2N2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: ZASHHUFHMQDNNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)propanehydrazide
• Synonyms: 2-(2,4-Dichlorophenoxy)propionic acid hydrazide; 2-(2,4-Dichlorophenoxy)propanohydrazide; 2-(2,4-Dichlorophenoxy)propionic acid hydrazide 98%; 2-(2,4-二氯苯氧基)丙酸 肼

Database IDs

• CAS Number: 15253-89-1
• MDL Number: MFCD00204152
• PubChem SID: 160984932
• PubChem CID: 2734792

CALCULATED PROPERTIES

• Acid pKa: 10.310077
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9655797
• LogD (pH = 7.4): 1.9664925
• Log P: 1.9669931
• Molar Refractivity: 59.0156 cm^3
• Polarizability: 23.02507 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; 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: 98%