(2,4,6-trifluorophenyl)hydrazine

• ChemBase ID: 99852
• Molecular Formular: C6H5F3N2
• Molecular Mass: 162.1125096
• Monoisotopic Mass: 162.04048283
• SMILES: N(c1c(cc(cc1F)F)F)N
• Canonical SMILES: NNc1c(F)cc(cc1F)F
• InChI: InChI=1S/C6H5F3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2
• InChIKey: KSKADWHKCXNUAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trifluorophenyl)hydrazine
• IUPAC Traditional name: (2,4,6-trifluorophenyl)hydrazine
• Synonyms: 2-Hydrazino-1,3,5-trifluorobenzene; 2,4,6-Trifluorophenylhydrazine 97+%; 2,4,6-Trifluorophenylhydrazine; 2,4,6-三氟苯肼

Database IDs

• CAS Number: 80025-72-5
• MDL Number: MFCD03095329
• PubChem SID: 162086099
• PubChem CID: 19778399

CALCULATED PROPERTIES

• Acid pKa: 13.175102
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.75747
• LogD (pH = 7.4): 1.7925277
• Log P: 1.7929943
• Molar Refractivity: 36.4139 cm^3
• Polarizability: 12.223003 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-101°C; 97-101°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 97%