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

• ChemBase ID: 97234
• Molecular Formular: C7H4ClF5N2
• Molecular Mass: 246.565076
• Monoisotopic Mass: 245.99831692
• SMILES: Fc1c(cc(c(c1F)NN)Cl)C(F)(F)F
• Canonical SMILES: NNc1c(Cl)cc(c(c1F)F)C(F)(F)F
• InChI: InChI=1S/C7H4ClF5N2/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)15-14/h1,15H,14H2
• InChIKey: CMWKKODQRWOJDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 120769-98-4
• MDL Number: MFCD04972718
• PubChem SID: 162083845
• PubChem CID: 14421334

CALCULATED PROPERTIES

• Acid pKa: 13.159139
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0894709
• LogD (pH = 7.4): 3.1278083
• Log P: 3.1321855
• Molar Refractivity: 46.976 cm^3
• Polarizability: 15.986816 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon