[(2-fluorophenyl)methyl]hydrazine

• ChemBase ID: 63122
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NNCc1c(cccc1)F
• Canonical SMILES: NNCc1ccccc1F
• InChI: InChI=1S/C7H9FN2/c8-7-4-2-1-3-6(7)5-10-9/h1-4,10H,5,9H2
• InChIKey: OOMBRKGIWITBLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(2-fluorophenyl)methyl]hydrazine
• Synonyms: 2-Fluorobenzylhydrazine; (2-Fluorobenzyl)hydrazine; (2-fluorobenzyl)hydrazine hydrochloride

Database IDs

• CAS Number: 51859-98-4
• MDL Number: MFCD12403346; MFCD07785903
• PubChem SID: 162028861
• PubChem CID: 10374537

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9197494
• LogD (pH = 7.4): 1.0550396
• Log P: 1.0570607
• Molar Refractivity: 49.7247 cm^3
• Polarizability: 14.67219 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.958

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%
• Salt Data: HCl