[2,4-dichloro-6-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 9010
• Molecular Formular: C7H5Cl2F3N2
• Molecular Mass: 245.0292096
• Monoisotopic Mass: 243.97818819
• SMILES: c1(cc(cc(c1NN)Cl)Cl)C(F)(F)F
• Canonical SMILES: NNc1c(Cl)cc(cc1C(F)(F)F)Cl
• InChI: InChI=1S/C7H5Cl2F3N2/c8-3-1-4(7(10,11)12)6(14-13)5(9)2-3/h1-2,14H,13H2
• InChIKey: ULVONSNGBHOIOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,4-dichloro-6-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2,4-dichloro-6-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 2,4-Dichloro-6-(trifluoromethyl)phenylhydrazine 95%; 2,4-Dichloro-6-(trifluoromethyl)phenylhydrazine; (2,4-Dichloro-6-(trifluoroMethyl)phenyl)hydrazine

Database IDs

• CAS Number: 107047-29-0
• MDL Number: MFCD00174090
• PubChem SID: 160972317
• PubChem CID: 2736873

CALCULATED PROPERTIES

• Acid pKa: 15.196302
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3784072
• LogD (pH = 7.4): 3.449835
• Log P: 3.4508262
• Molar Refractivity: 51.348 cm^3
• Polarizability: 18.090656 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-43°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%