[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 100555
• Molecular Formular: C7H5ClF4N2
• Molecular Mass: 228.5746128
• Monoisotopic Mass: 228.00773873
• SMILES: Fc1c(c(cc(c1)C(F)(F)F)Cl)NN
• Canonical SMILES: NNc1c(F)cc(cc1Cl)C(F)(F)F
• InChI: InChI=1S/C7H5ClF4N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
• InChIKey: LDEAIXDNMCHKOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 2-Chloro-6-fluoro-4-(trifluoromethyl)phenylhydrazine 98%

Database IDs

• CAS Number: 110499-66-6
• MDL Number: MFCD04972729
• PubChem SID: 162087445
• PubChem CID: 13913421

CALCULATED PROPERTIES

• Acid pKa: 14.046495
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9364092
• LogD (pH = 7.4): 2.9875133
• Log P: 2.9894836
• Molar Refractivity: 46.7596 cm^3
• Polarizability: 16.021355 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-75°C

Safety Information

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