[4-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 19157
• Molecular Formular: C7H8ClF3N2
• Molecular Mass: 212.6000296
• Monoisotopic Mass: 212.03281061
• SMILES: Cl.c1c(ccc(c1)NN)C(F)(F)F
• Canonical SMILES: NNc1ccc(cc1)C(F)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-1-3-6(12-11)4-2-5;/h1-4,12H,11H2;1H
• InChIKey: WCAGNYIHAYOPSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride; (4-(trifluoromethyl)phenyl)hydrazine hydrochloride; 4-(Trifluoromethyl)phenylhydrazine hydrochloride; 1-[4-(trifluoromethyl)phenyl]hydrazine hydrochloride; 4-(Trifluoromethyl)phenylhydrazine hydrochloride 97%

Database IDs

• CAS Number: 2923-56-0
• MDL Number: MFCD00204233
• PubChem SID: 160982464
• PubChem CID: 24229790

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0367053
• LogD (pH = 7.4): 2.239429
• Log P: 2.2427368
• Molar Refractivity: 41.7384 cm^3
• Polarizability: 14.084089 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 65°C
• Hydrophobicity(logP): 0.0

Safety Information

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

Product Information

• Purity: 95%; 97%; 98%
• Salt Data: HCl