[3,5-bis(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 295344
• Molecular Formular: C8H6F6N2
• Molecular Mass: 244.1370592
• Monoisotopic Mass: 244.04351752
• SMILES: c1c(cc(cc1C(F)(F)F)NN)C(F)(F)F
• Canonical SMILES: NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
• InChIKey: OULWACKZBGBRNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,5-bis(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [3,5-bis(trifluoromethyl)phenyl]hydrazine
• Synonyms: 3,5-Bis(trifluoromethyl)phenylhydrazine; 3,5-Bis(trifluoroMethyl)phenylhydrazine; 3,5-双(三氟甲基)苯肼

Database IDs

• CAS Number: 886-35-1
• MDL Number: MFCD00051606
• Beilstein Number: 1843213
• PubChem SID: 180680875
• PubChem CID: 522901

CALCULATED PROPERTIES

• Acid pKa: 19.875715
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9732144
• LogD (pH = 7.4): 3.1183815
• Log P: 3.1205854
• Molar Refractivity: 47.7121 cm^3
• Polarizability: 15.758318 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-83°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%; 98%