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

• ChemBase ID: 99274
• Molecular Formular: C6H4F4N2
• Molecular Mass: 180.1029728
• Monoisotopic Mass: 180.03106102
• SMILES: N(c1c(c(cc(c1F)F)F)F)N
• Canonical SMILES: NNc1c(F)c(F)cc(c1F)F
• InChI: InChI=1S/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2
• InChIKey: TYMFVEOXNZYYTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-tetrafluorophenyl)hydrazine
• IUPAC Traditional name: (2,3,5,6-tetrafluorophenyl)hydrazine
• Synonyms: 1-Hydrazino-2,3,5,6-tetrafluorobenzene; 2,3,5,6-Tetrafluorophenylhydrazine 97%; 2,3,5,6-Tetrafluorophenylhydrazine; 2,3,5,6-四氟苯肼

Database IDs

• CAS Number: 653-11-2
• EC Number: 211-494-4
• MDL Number: MFCD00007575
• Beilstein Number: 745777
• PubChem SID: 162085556
• PubChem CID: 69552

CALCULATED PROPERTIES

• Acid pKa: 11.54618
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9123622
• LogD (pH = 7.4): 1.935364
• Log P: 1.9356961
• Molar Refractivity: 36.6303 cm^3
• Polarizability: 12.163938 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-92°C; 91-93 °C(lit.); 92-94°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97%; 97%
• Linear Formula: HC6F4NHNH2