ammonium N-nitroso-N-oxidoaniline

• ChemBase ID: 103139
• Molecular Formular: C6H9N3O2
• Molecular Mass: 155.15456
• Monoisotopic Mass: 155.06947654
• SMILES: [NH4+].[O-]N(N=O)c1ccccc1
• Canonical SMILES: O=NN(c1ccccc1)[O-].[NH4+]
• InChI: InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1
• InChIKey: GDEBSAWXIHEMNF-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium N-nitroso-N-oxidoaniline
• IUPAC Traditional name: ammonium N-nitroso-N-oxidoaniline
• Synonyms: cupferron; ammonium N-nitrosophenylhydroxylamine; N-Nitrosophenylhydroxylamine ammonium salt; N-Nitroso-N-phenylhydroxylamine ammonium salt; CUPFERRON; Ammonium-N-Nitrosophenylhydroxylamine; CUPFERRON, ACS; AMMONIUM-N-NITROSOPHENYLHYDROXYLAMINE; Cupferron; 铁铜灵; N-亚硝基-N-苯基羟胺 铵盐; 铜铁试剂

Database IDs

• CAS Number: 135-20-6
• EC Number: 205-183-2
• MDL Number: MFCD00078422
• Beilstein Number: 3919107
• Merck Index: 142622
• PubChem SID: 162090693; 24885293; 24852418
• PubChem CID: 2724103
• Chemspider ID: 2006262
• Wikipedia Title: Cupferron

CALCULATED PROPERTIES

• Acid pKa: 8.887525
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4695374
• LogD (pH = 7.4): 1.4558651
• Log P: 1.4697145
• Molar Refractivity: 35.5743 cm^3
• Polarizability: 12.874542 Å^3
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: passes test; soluble in water
• Apperance: clear
• Melting Point: 150-155 °C; 150-155 °C (dec.)(lit.); 154°C; 154°C dec.

Safety Information

• Storage Condition: 2-8°C
• RTECS: NC4725000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 25-36/37/38-40; 25-36/38-40-43; R:25-36-45; R:25-45
• Safety Statements: 26-36/37-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H317-H351; H301-H315-H319-H335-H351
• GHS Precautionary statements: P261-P281-P301 + P310-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97+%; 98%
• Grade: ACS; ACS reagent; JIS special grade; REAGENT; reagent grade
• Ignition Residue: ≤0.05%
• Quality: for the determination and separation of Ce, Cu, Fe, Ga, Nb, Sn, Ta, Ti, U, V, W
• Linear Formula: C6H5N(NO)ONH4

DETAILS

MP Biomedicals - 02150733

Purity: 98%
Stabilized with ammonium carbonate (3%)
Useful reagent for determination and separation of Ce, Cu, Fe, Ga, Sn, Ti.

MP Biomedicals - 02152512

ACS Reagent Grade

MP Biomedicals - 05207083

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 675636

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 206881

Application
Water soluble free radical polymerization inhibitor