[4-chloro-2-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 796250
• Molecular Formular: C7H6ClF3N2
• Molecular Mass: 210.5841496
• Monoisotopic Mass: 210.01716054
• SMILES: NNc1c(cc(cc1)Cl)C(F)(F)F
• Canonical SMILES: NNc1ccc(cc1C(F)(F)F)Cl
• InChI: InChI=1S/C7H6ClF3N2/c8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-3,13H,12H2
• InChIKey: SIILNUCRHAEFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-chloro-2-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [4-chloro-2-(trifluoromethyl)phenyl]hydrazine
• Synonyms: (4-chloro-2-(trifluoromethyl)phenyl)hydrazine

Database IDs

• CAS Number: 1513-34-4

CALCULATED PROPERTIES

• Acid pKa: 17.847744
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7255359
• LogD (pH = 7.4): 2.8450239
• Log P: 2.8467815
• Molar Refractivity: 46.5432 cm^3
• Polarizability: 16.074759 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%