(3,4-difluorophenyl)hydrazine

• ChemBase ID: 93329
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: N(c1cc(c(cc1)F)F)N
• Canonical SMILES: NNc1ccc(c(c1)F)F
• InChI: InChI=1S/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
• InChIKey: KBSCNXDDCDSLLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-difluorophenyl)hydrazine
• IUPAC Traditional name: (3,4-difluorophenyl)hydrazine
• Synonyms: 3,4-Difluorophenylhydrazine; (3,4-difluorophenyl)hydrazine

Database IDs

• CAS Number: 161886-22-2
• MDL Number: MFCD03788477
• PubChem SID: 162080014
• PubChem CID: 2774209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.504108
• LogD (pH = 7.4): 1.6481092
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.342857 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant