(E)-N-[(2E)-2-(hydroxyimino)-1,2-diphenylethylidene]hydroxylamine

• ChemBase ID: 295170
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: c1ccc(cc1)/C(=N\O)/C(=N/O)/c1ccccc1
• Canonical SMILES: O/N=C(/C(=N/O)/c1ccccc1)\c1ccccc1
• InChI: InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H/b15-13+,16-14+
• InChIKey: JJZONEUCDUQVGR-WXUKJITCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(2E)-2-(hydroxyimino)-1,2-diphenylethylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(2E)-2-(hydroxyimino)-1,2-diphenylethylidene]hydroxylamine
• Synonyms: Diphenylglyoxime; Benzil dioxime; 苯偶酰二肟

Database IDs

• CAS Number: 23873-81-6
• EC Number: 245-921-0
• MDL Number: MFCD00002113
• Beilstein Number: 2053615
• Merck Index: 141079
• PubChem SID: 180680701
• PubChem CID: 5356301

CALCULATED PROPERTIES

• Acid pKa: 6.3029575
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2004483
• LogD (pH = 7.4): 2.1554136
• Log P: 3.2636862
• Molar Refractivity: 69.7162 cm^3
• Polarizability: 26.410017 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 238°C dec.

Safety Information

• RTECS: DD1985000
• TSCA Listed: 是

Product Information

• Purity: 98%

REFERENCES

• Reagent for nickel and palladium.