(2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine

• ChemBase ID: 150575
• Molecular Formular: C7H6F4N2
• Molecular Mass: 194.1295528
• Monoisotopic Mass: 194.04671108
• SMILES: Cc1c(c(c(c(c1F)F)NN)F)F
• Canonical SMILES: NNc1c(F)c(F)c(c(c1F)F)C
• InChI: InChI=1S/C7H6F4N2/c1-2-3(8)5(10)7(13-12)6(11)4(2)9/h13H,12H2,1H3
• InChIKey: CVDWCBSQXLCCLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine
• IUPAC Traditional name: (2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine
• Synonyms: (4-Methyl-2,3,5,6-tetrafluorophenyl)hydrazine; (4-甲基-2,3,5,6-四氟苯基)肼

Database IDs

• CAS Number: 4232-72-8
• MDL Number: MFCD00012367
• PubChem SID: 162244736
• PubChem CID: 4596103

CALCULATED PROPERTIES

• Acid pKa: 12.210136
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4096663
• LogD (pH = 7.4): 2.434719
• Log P: 2.4491177
• Molar Refractivity: 41.6715 cm^3
• Polarizability: 13.855972 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-85 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH3C6F4NHNH2

DETAILS

Sigma Aldrich - 303496

Packaging
1 g in glass bottle