(2,4-difluorophenyl)hydrazine

• ChemBase ID: 54065
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: c1c(cc(c(c1)NN)F)F
• Canonical SMILES: NNc1ccc(cc1F)F
• InChI: InChI=1S/C6H6F2N2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
• InChIKey: RLZUIPTYDYCNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-difluorophenyl)hydrazine
• IUPAC Traditional name: (2,4-difluorophenyl)hydrazine
• Synonyms: (2,4-Difluoro-phenyl)-hydrazine; 2,4-Difluoro-1-hydrazinobenzene; 2,4-Difluorophenylhydrazine 95%

Database IDs

• CAS Number: 40594-30-7
• MDL Number: MFCD00042256
• PubChem SID: 162058828
• PubChem CID: 588958

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.809517
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5664967
• LogD (pH = 7.4): 1.6490732
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.345819 Å^3
• Polar Surface Area: 38.05 Å^2

PROPERTIES

Physical Property

• Melting Point: 65-67°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%