(4-phenoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 10453
• Molecular Formular: C12H13ClN2O
• Molecular Mass: 236.69742
• Monoisotopic Mass: 236.07164073
• SMILES: O(c1ccc(cc1)NN)c1ccccc1.Cl
• Canonical SMILES: NNc1ccc(cc1)Oc1ccccc1.Cl
• InChI: InChI=1S/C12H12N2O.ClH/c13-14-10-6-8-12(9-7-10)15-11-4-2-1-3-5-11;/h1-9,14H,13H2;1H
• InChIKey: BFNBYPAMZTYWBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-phenoxyphenyl)hydrazine hydrochloride
• Synonyms: 4-Phenoxyphenyl hydrazine hydrochloride; 4-(Phenoxy)phenylhydrazine hydrochloride; 4-PHENOXYPHENYLHYDRAZINE HYDROCHLORIDE; (4-phenoxyphenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 60481-02-9; 17672-28-5
• MDL Number: MFCD03426044
• PubChem SID: 160973760
• PubChem CID: 2760971

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6528485
• LogD (pH = 7.4): 2.8617404
• Log P: 2.8651757
• Molar Refractivity: 62.0055 cm^3
• Polarizability: 23.23477 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C; 187-189°C(dec); 187-189(dec.)°C
• Hydrophobicity(logP): 3.363

Safety Information

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

Product Information

• Purity: 95%; 98%