(pentafluorophenyl)hydrazine

• ChemBase ID: 34859
• Molecular Formular: C6H3F5N2
• Molecular Mass: 198.093436
• Monoisotopic Mass: 198.02163921
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)NN
• Canonical SMILES: NNc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
• InChIKey: BYCUWCJUPSUFBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluorophenyl)hydrazine
• IUPAC Traditional name: (pentafluorophenyl)hydrazine
• Synonyms: Pentafluorophenylhydrazine; (Pentafluorophenyl)hydrazine; Pentafluorophenylhydrazine; Perfluorophenylhydrazine 97%; 五氟苯肼

Database IDs

• CAS Number: 828-73-9
• EC Number: 212-586-7
• MDL Number: MFCD00007574
• Beilstein Number: 747800
• PubChem SID: 160998166; 24887048; 24849610
• PubChem CID: 13236

CALCULATED PROPERTIES

• Acid pKa: 11.822388
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0568798
• LogD (pH = 7.4): 2.0781043
• Log P: 2.078398
• Molar Refractivity: 36.8467 cm^3
• Polarizability: 12.154789 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-78°C; 74-76 °C(lit.); 74-76°C; 75-79 °C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• RTECS: MV8325000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: purum
• Linear Formula: C6F5NHNH2

DETAILS

Sigma Aldrich - 156388

Packaging
10 g in glass bottle

Sigma Aldrich - 76752

Caution
may discolor to orange-brown on storage

REFERENCES

• Reagent for the derivatization of ketones for GC electron-capture detection: Anal. Biochem, 20, 394 (1967).