N-[2-(hydroxyimino)ethylidene]hydroxylamine

• ChemBase ID: 103290
• Molecular Formular: C2H4N2O2
• Molecular Mass: 88.06536
• Monoisotopic Mass: 88.02727738
• SMILES: O/N=C/C=N/O
• Canonical SMILES: O/N=C/C=N/O
• InChI: InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
• InChIKey: LJHFIVQEAFAURQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(hydroxyimino)ethylidene]hydroxylamine; (E)-N-[(2E)-2-(hydroxyimino)ethylidene]hydroxylamine
• IUPAC Traditional name: ethanedial, dioxime
• Synonyms: Glyoxaldioxime; GLYOXIME; Glyoxal dioxime; Glyoxime; 乙二肟

Database IDs

• CAS Number: 557-30-2
• EC Number: 209-168-1
• MDL Number: MFCD00013942
• Beilstein Number: 1699539
• PubChem SID: 162090418
• PubChem CID: 5354753

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.011422883
• LogD (pH = 7.4): -0.21809363
• Log P: 0.015361065
• Molar Refractivity: 20.2048 cm^3
• Polarizability: 7.385622 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 7.5445824

PROPERTIES

Physical Property

• Melting Point: 175-180°C; ca 169°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MD2850000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2926; UN2926
• Hazard Class: 4.1; 6.1
• Packing Group: II; III
• Australian Hazchem: 2W
• Risk Statements: 11-21-25-36/37/38; R:10-25-27
• Safety Statements: 20-26-36/37-45; S:16-28-29-36/37/39-45
• EU Classification: FT1
• EU Hazard Identification Number: 4.1B
• Emergency Response Guidebook(ERG) Number: 134
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Hazard statements: H228-H300-H311-H315-H319-H335
• GHS Precautionary statements: P210-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 98+%, moistened with ca 20% water

DETAILS

MP Biomedicals - 02151205

Reagent for the spectrophotometric determination of Co (II) and Pd (II).

REFERENCES

• R.B. Singh, et al., Talanta, 26: 425, (1979).
• Reagent for Co and Pd: Talanta, 26, 245 (1979).
• Dehydration with acetic anhydride gives a convenient laboratory preparation of cyanogen (toxic): Synth. Commun ., 20, 2901 (1990).