[(2,4-dichlorophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 256056
• Molecular Formular: C7H9Cl3N2
• Molecular Mass: 227.51876
• Monoisotopic Mass: 225.98313134
• SMILES: c1(c(ccc(c1)Cl)CNN)Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C7H8Cl2N2.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3,11H,4,10H2;1H
• InChIKey: CYFKAMFHYDGJRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dichlorophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(2,4-dichlorophenyl)methyl]hydrazine hydrochloride
• Synonyms: (2,4-dichlorobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 879645-40-6
• MDL Number: MFCD10686737
• PubChem SID: 164311966
• PubChem CID: 42940676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.977939
• LogD (pH = 7.4): 2.1202943
• Log P: 2.1224482
• Molar Refractivity: 59.1179 cm^3
• Polarizability: 18.776587 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.13

Product Information

• Purity: 95%