[4-(4-chlorophenoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 10454
• Molecular Formular: C12H12Cl2N2O
• Molecular Mass: 271.14248
• Monoisotopic Mass: 270.03266837
• SMILES: O(c1ccc(cc1)Cl)c1ccc(cc1)NN.Cl
• Canonical SMILES: NNc1ccc(cc1)Oc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C12H11ClN2O.ClH/c13-9-1-5-11(6-2-9)16-12-7-3-10(15-14)4-8-12;/h1-8,15H,14H2;1H
• InChIKey: RZATYTZYCPATNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-chlorophenoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(4-chlorophenoxy)phenyl]hydrazine hydrochloride
• Synonyms: 4-(4-Chlorophenoxy)phenylhydrazine hydrochloride

Database IDs

• CAS Number: 212755-77-6
• MDL Number: MFCD03426045
• PubChem SID: 160973761
• PubChem CID: 2760975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.256893
• LogD (pH = 7.4): 3.465785
• Log P: 3.4692204
• Molar Refractivity: 66.8103 cm^3
• Polarizability: 25.071901 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217-219°C; 217-219°C(dec)

Safety Information

• Storage Warning: Irritant; IRRITANT, IRRITANT-HARMFUL
• TSCA Listed: false