[(2-chlorophenyl)methyl]hydrazine

• ChemBase ID: 63125
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(c(Cl)cccc1)CNN
• Canonical SMILES: NNCc1ccccc1Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-4-2-1-3-6(7)5-10-9/h1-4,10H,5,9H2
• InChIKey: BMCMWXOVSVJGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(2-chlorophenyl)methyl]hydrazine
• Synonyms: 2-Chlorobenzylhydrazine; (2-chlorobenzyl)hydrazine; 1-[(2-chlorophenyl)methyl]hydrazine; (2-chlorobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 51421-13-7
• MDL Number: MFCD07643168; MFCD03939107
• PubChem SID: 162028864
• PubChem CID: 417064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3695732
• LogD (pH = 7.4): 1.5161817
• Log P: 1.5184035
• Molar Refractivity: 54.3131 cm^3
• Polarizability: 16.882166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.397
• Hydrophobicity(logP): 1.417

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%
• Salt Data: HCl