[(3-fluorophenyl)methyl]hydrazine

• ChemBase ID: 63121
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NNCc1cc(ccc1)F
• Canonical SMILES: NNCc1cccc(c1)F
• InChI: InChI=1S/C7H9FN2/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5,9H2
• InChIKey: SAVAJKHGIQLPDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(3-fluorophenyl)methyl]hydrazine
• Synonyms: 3-Fluorobenzylhydrazine; (3-fluorobenzyl)hydrazine hydrochloride; (3-fluorobenzyl)hydrazine

Database IDs

• CAS Number: 51421-16-0
• MDL Number: MFCD07785902; MFCD12031963
• PubChem SID: 162028860
• PubChem CID: 16778346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8792763
• LogD (pH = 7.4): 1.0543028
• Log P: 1.0570607
• Molar Refractivity: 49.7247 cm^3
• Polarizability: 14.672323 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.997
• Hydrophobicity(logP): 0.847

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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