[2-chloro-5-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 94616
• Molecular Formular: C7H6ClF3N2
• Molecular Mass: 210.5841496
• Monoisotopic Mass: 210.01716054
• SMILES: N(c1c(ccc(c1)C(F)(F)F)Cl)N
• Canonical SMILES: NNc1cc(ccc1Cl)C(F)(F)F
• InChI: InChI=1S/C7H6ClF3N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3,13H,12H2
• InChIKey: PAPSYPXQNRTIRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 4-Chloro-3-hydrazinobenzotrifluoride; 2-Chloro-5-(trifluoromethyl)phenylhydrazine; 1-[2-chloro-5-(trifluoromethyl)phenyl]hydrazine; [2-chloro-5-(trifluoromethyl)phenyl]hydrazine

Database IDs

• CAS Number: 1869-22-3
• MDL Number: MFCD00052685
• PubChem SID: 162081270
• PubChem CID: 2060249

CALCULATED PROPERTIES

• Acid pKa: 17.526056
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7365847
• LogD (pH = 7.4): 2.8451688
• Log P: 2.8467815
• Molar Refractivity: 46.5432 cm^3
• Polarizability: 16.08718 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-68°C
• Hydrophobicity(logP): 3.496

Safety Information

• Storage Warning: Toxic/Keep Cold

Product Information

• Purity: 95%