{[2-(trifluoromethoxy)phenyl]methyl}hydrazine dihydrochloride

• ChemBase ID: 63128
• Molecular Formular: C8H11Cl2F3N2O
• Molecular Mass: 279.0869496
• Monoisotopic Mass: 278.020053
• SMILES: Cl.Cl.NNCc1c(cccc1)OC(F)(F)F
• Canonical SMILES: NNCc1ccccc1OC(F)(F)F.Cl.Cl
• InChI: InChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)14-7-4-2-1-3-6(7)5-13-12;;/h1-4,13H,5,12H2;2*1H
• InChIKey: KTFLOIQKMQVJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(trifluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• IUPAC Traditional name: {[2-(trifluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• Synonyms: 2-Trifluoromethoxybenzylhydrazine dihydrochloride

Database IDs

• CAS Number: 887595-82-6
• MDL Number: MFCD18425619
• PubChem SID: 162028867
• PubChem CID: 57149539

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1986537
• LogD (pH = 7.4): 2.3432763
• Log P: 2.3454704
• Molar Refractivity: 52.5786 cm^3
• Polarizability: 16.916105 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%