[2-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 9257
• Molecular Formular: C7H8ClF3N2
• Molecular Mass: 212.6000296
• Monoisotopic Mass: 212.03281061
• SMILES: c1cccc(c1NN)C(F)(F)F.Cl
• Canonical SMILES: NNc1ccccc1C(F)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-3-1-2-4-6(5)12-11;/h1-4,12H,11H2;1H
• InChIKey: ZUSWDTWYONAOPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: 2-(Trifluoromethyl)phenylhydrazine hydrochloride; 2-Hydrazinobenzotrifluoride hydrochloride; 1-[2-(trifluoromethyl)phenyl]hydrazine hydrochloride

Database IDs

• CAS Number: 3107-34-4
• MDL Number: MFCD00102619
• PubChem SID: 160972564
• PubChem CID: 12891828

CALCULATED PROPERTIES

• Acid pKa: 18.315767
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.10269
• LogD (pH = 7.4): 2.2406607
• Log P: 2.2427368
• Molar Refractivity: 41.7384 cm^3
• Polarizability: 14.08499 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220°C; 220(dec.)°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%