[2-chloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 97233
• Molecular Formular: C7H4ClF5N2
• Molecular Mass: 246.565076
• Monoisotopic Mass: 245.99831692
• SMILES: Fc1c(c(cc(c1Cl)NN)F)C(F)(F)F
• Canonical SMILES: NNc1cc(F)c(c(c1Cl)F)C(F)(F)F
• InChI: InChI=1S/C7H4ClF5N2/c8-5-3(15-14)1-2(9)4(6(5)10)7(11,12)13/h1,15H,14H2
• InChIKey: QGFFAYVDQOAIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-chloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 3-Chloro-2,6-difluoro-4-hydrazinobenzotrifluoride; 2-Chloro-3,5-difluoro-4-(trifluoromethyl)phenylhydrazine 98%

Database IDs

• CAS Number: 121435-36-7
• MDL Number: MFCD04972719
• PubChem SID: 162083844
• PubChem CID: 14421335

CALCULATED PROPERTIES

• Acid pKa: 15.7536545
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0648594
• LogD (pH = 7.4): 3.1310859
• Log P: 3.1321855
• Molar Refractivity: 46.976 cm^3
• Polarizability: 16.00656 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant