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

• ChemBase ID: 7433
• Molecular Formular: C7H6ClF3N2
• Molecular Mass: 210.5841496
• Monoisotopic Mass: 210.01716054
• SMILES: c1cc(cc(c1NN)Cl)C(F)(F)F
• Canonical SMILES: NNc1ccc(cc1Cl)C(F)(F)F
• InChI: InChI=1S/C7H6ClF3N2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,13H,12H2
• InChIKey: KSESZRGARIEOFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-chloro-4-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 1-[2-chloro-4-(trifluoromethyl)phenyl]hydrazine; 2-Chloro-4-(trifluoromethyl)phenyl hydrazine; 3-Chloro-4-hydrazinobenzotrifluoride; 2-Chloro-4-(trifluoromethyl)phenylhydrazine 97%

Database IDs

• CAS Number: 86398-98-3
• MDL Number: MFCD00052916
• PubChem SID: 160970740
• PubChem CID: 2736687

CALCULATED PROPERTIES

• Acid pKa: 18.091751
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7232108
• LogD (pH = 7.4): 2.8449647
• Log P: 2.8467815
• Molar Refractivity: 46.5432 cm^3
• Polarizability: 16.089067 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-41°C
• Boiling Point: 80-85°C/0.25mm

Safety Information

• Storage Warning: Irritant; TOXIC
• TSCA Listed: false

Product Information

• Purity: 95%; 97%