[3-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 9284
• Molecular Formular: C7H8ClF3N2
• Molecular Mass: 212.6000296
• Monoisotopic Mass: 212.03281061
• SMILES: c1cc(cc(c1)NN)C(F)(F)F.Cl
• Canonical SMILES: NNc1cccc(c1)C(F)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-6(4-5)12-11;/h1-4,12H,11H2;1H
• InChIKey: XVVBLYYGZHLQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [3-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: 3-Hydrazinobenzotrifluoride hydrochloride; 3-(Trifluoromethyl)phenylhydrazine hydrochloride 97%; 3-(Trifluoromethyl)phenylhydrazine hydrochloride; [3-(trifluoromethyl)phenyl]hydrazine hydrochloride

Database IDs

• CAS Number: 368-78-5; 3107-33-3
• MDL Number: MFCD00100503
• PubChem SID: 160972591
• PubChem CID: 2733310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0577643
• LogD (pH = 7.4): 2.2398424
• Log P: 2.2427368
• Molar Refractivity: 41.7384 cm^3
• Polarizability: 14.084188 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0

Safety Information

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

Product Information

• Purity: 95%; 98%
• Salt Data: HCl