[(3,4-dichlorophenyl)methyl]hydrazine

• ChemBase ID: 117848
• Molecular Formular: C7H8Cl2N2
• Molecular Mass: 191.05782
• Monoisotopic Mass: 190.00645363
• SMILES: c1(c(ccc(c1)CNN)Cl)Cl
• Canonical SMILES: NNCc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C7H8Cl2N2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4,10H2
• InChIKey: OMBMILBFFMGAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dichlorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(3,4-dichlorophenyl)methyl]hydrazine
• Synonyms: (3,4-dichlorobenzyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD12031975
• PubChem SID: 162098603
• PubChem CID: 20495842

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9423195
• LogD (pH = 7.4): 2.1196458
• Log P: 2.1224482
• Molar Refractivity: 59.1179 cm^3
• Polarizability: 18.800373 Å^3
• Polar Surface Area: 38.05 Å^2

PROPERTIES

Physical Property

• Partition Coefficient: 2.026

Product Information

• Purity: 95+%
• Salt Data: HCl