hydrogen [3-(trifluoromethyl)phenyl]hydrazine chloride

• ChemBase ID: 286726
• Molecular Formular: C7H7ClF3N2-
• Molecular Mass: 211.5920896
• Monoisotopic Mass: 211.02498557
• SMILES: c1c(cccc1NN)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/p-1
• InChIKey: XVVBLYYGZHLQDX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen [3-(trifluoromethyl)phenyl]hydrazine chloride
• IUPAC Traditional name: hydrogen [3-(trifluoromethyl)phenyl]hydrazine chloride
• Synonyms: 3-(Trifluoromethyl)phenylhydrazine hydrochloride

Database IDs

• CAS Number: 3107-33-3
• MDL Number: MFCD00100503
• PubChem SID: 180672257
• PubChem CID: 73994915

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

Product Information

• Purity: 98%