(4-bromo-2,3,5,6-tetrafluorophenyl)hydrazine

• ChemBase ID: 8050
• Molecular Formular: C6H3BrF4N2
• Molecular Mass: 258.9990328
• Monoisotopic Mass: 257.94157299
• SMILES: c1(c(c(c(c(c1F)NN)F)F)Br)F
• Canonical SMILES: NNc1c(F)c(F)c(c(c1F)F)Br
• InChI: InChI=1S/C6H3BrF4N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
• InChIKey: NQXNTMIIWYYOBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2,3,5,6-tetrafluorophenyl)hydrazine
• IUPAC Traditional name: (4-bromo-2,3,5,6-tetrafluorophenyl)hydrazine
• Synonyms: 4-Bromotetrafluorophenylhydrazine 97%; (4-Bromotetrafluorophenyl)hydrazine

Database IDs

• CAS Number: 2797-79-7
• MDL Number: MFCD01075256
• PubChem SID: 160971357
• PubChem CID: 298181

CALCULATED PROPERTIES

• Acid pKa: 11.487901
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6242647
• LogD (pH = 7.4): 2.642633
• Log P: 2.7044487
• Molar Refractivity: 44.2531 cm^3
• Polarizability: 15.430078 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-80°C

Safety Information

• Storage Warning: TOXIC; Toxic
• TSCA Listed: false

Product Information

• Purity: 97%