[(4-chlorophenyl)methyl]hydrazine

• ChemBase ID: 63124
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: N(N)Cc1ccc(cc1)Cl
• Canonical SMILES: NNCc1ccc(cc1)Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-4,10H,5,9H2
• InChIKey: OEMUGKBHGOCMKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(4-chlorophenyl)methyl]hydrazine
• Synonyms: 4-Chlorobenzylhydrazine; (4-chlorobenzyl)hydrazine; (4-chlorobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 25198-45-2
• MDL Number: MFCD07643258; MFCD01722572
• PubChem SID: 162028863
• PubChem CID: 3015209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3209072
• LogD (pH = 7.4): 1.5153067
• Log P: 1.5184035
• Molar Refractivity: 54.3131 cm^3
• Polarizability: 16.87745 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.399

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%
• Salt Data: HCl