3,5-dichloro-4-methoxybenzohydrazide

• ChemBase ID: 44238
• Molecular Formular: C8H8Cl2N2O2
• Molecular Mass: 235.06732
• Monoisotopic Mass: 233.99628287
• SMILES: c1(c(cc(C(=O)NN)cc1Cl)Cl)OC
• Canonical SMILES: NNC(=O)c1cc(Cl)c(c(c1)Cl)OC
• InChI: InChI=1S/C8H8Cl2N2O2/c1-14-7-5(9)2-4(3-6(7)10)8(13)12-11/h2-3H,11H2,1H3,(H,12,13)
• InChIKey: AILWISDLOFOZHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-methoxybenzohydrazide
• IUPAC Traditional name: 3,5-dichloro-4-methoxybenzohydrazide
• Synonyms: 3,5-Dichloro-4-methoxybenzhydrazide; 3,5-Dichloro-4-methoxybenzenecarbohydrazide

Database IDs

• CAS Number: 22631-59-0
• MDL Number: MFCD00169294
• PubChem SID: 162049001
• PubChem CID: 211186

CALCULATED PROPERTIES

• Acid pKa: 13.775025
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5769613
• LogD (pH = 7.4): 1.5778174
• Log P: 1.5778285
• Molar Refractivity: 55.6933 cm^3
• Polarizability: 21.03094 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213 °C; 211-213°C

Safety Information

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

Product Information

• Purity: >95%