[4-(difluoromethoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 268447
• Molecular Formular: C7H9ClF2N2O
• Molecular Mass: 210.6089664
• Monoisotopic Mass: 210.03714704
• SMILES: C(Oc1ccc(NN)cc1)(F)F.Cl
• Canonical SMILES: NNc1ccc(cc1)OC(F)F.Cl
• InChI: InChI=1S/C7H8F2N2O.ClH/c8-7(9)12-6-3-1-5(11-10)2-4-6;/h1-4,7,11H,10H2;1H
• InChIKey: UMAUOONPXWEKEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(difluoromethoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(difluoromethoxy)phenyl]hydrazine hydrochloride
• Synonyms: [4-(difluoromethoxy)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD16622120
• PubChem SID: 164324357
• PubChem CID: 47003324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9218242
• LogD (pH = 7.4): 2.1305437
• Log P: 2.1339755
• Molar Refractivity: 42.2368 cm^3
• Polarizability: 14.968854 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.814

Product Information

• Purity: 95%