ammonium nitrooxidane

• ChemBase ID: 105723
• Molecular Formular: H4N2O3
• Molecular Mass: 80.04336
• Monoisotopic Mass: 80.022192
• SMILES: [NH4+].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[NH4+]
• InChI: InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1
• InChIKey: DVARTQFDIMZBAA-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium nitrooxidane; ammonium nitrate
• IUPAC Traditional name: ammonium nitronate; ammonium nitrate
• Synonyms: Ammonium nitrate, Puratronic®; AMMONIUM NITRATE ACS REAGENT GRADE; AMMONIUM NITRATE ULTRA PURE; Ammonium nitrate; Ammonium nitrate; Ammonium nitrate, ACS; 硝酸铵, Puratronic®; 硝酸铵; 硝酸铵, ACS

Database IDs

• CAS Number: 6484-52-2
• EC Number: 229-347-8
• MDL Number: MFCD00011425
• Merck Index: 14534
• PubChem SID: 162092564; 24890813; 24891237
• PubChem CID: 22985
• Chemspider ID: 21511
• Unique Ingredient Identifier: T8YA51M7Y6
• Wikipedia Title: Ammonium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 118 g/100 ml (0 °C); 150 g/100 ml (20 °C); 297 g/100 ml (40 °C); 410 g/100 ml (60 °C); 576 g/100 ml (80 °C); 1024 g/100 ml (100 °C) in water; Freely soluble in water; H2O: soluble1 M, clear, colorless
• Apperance: Crystalline; Granular; white/grey solid
• Melting Point: 169 °C(lit.); 169.6 °C; 170 °C; 170°C
• Boiling Point: approx. 210 °C decomp.; 210 °C with decomposition; 210 °C(lit.); 210°C dec.
• Density: 1.72; 1.725 g/cm^3 (20 °C); 1.725 g/cm^3 at 25 °C
• Vapor Pressure: Inorganic solid, not applicable.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BR9050000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 0222 – with > 0.2% combustible substances; 1942 – with <= 0.2% combustible substances; 2067 – fertilizers; 2426 – liquid; 1942; UN1942
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3; III
• Australian Hazchem: 1Y
• Risk Statements: 8-36/37/38; 8-9-36/37/38; R:8-36/37/38
• Safety Statements: 17-26-36; 17-26-37-60; S:17-20-25-26-37/39
• EU Classification: O2
• EU Hazard Identification Number: 5.1B
• Emergency Response Guidebook(ERG) Number: 140
• TSCA Listed: 是
• EU Index: not listed
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Warning
• Main Hazard: Explosive
• NFPA704:
  

  0

  1

  3

  OX
• LD50: 2085–5300 mg/kg (oral in rats, mice)
• Explosive Velocity: 5270 m/s
• Friction Sensitivity: very low
• Shock Sensitivity: very low
• GHS Hazard statements: H271-H315-H319-H335-H303; H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; P221-P283-P210-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1942 5.1/PG 3

Product Information

• Purity: ≥98%; >99%; ≥99.5%; 95% min; 99.999% (metals basis)
• Grade: ACS; REAGENT
• Suitability: plant cell culture tested
• Ignition Residue: ≤0.01%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.005% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.0005%; sulfate (SO42-): ≤0.002%

DETAILS

MP Biomedicals - 02193856

ACS Reagent Grade
Purity: >98%

MP Biomedicals - 02193857

Ultra Pure Grade
Purity: >99%

Sigma Aldrich - A3795

包装
2.5 kg in poly bottle
25 kg in fiber drum
500 g in poly bottle

Sigma Aldrich - A7455

包装
2.5 kg in poly drum
500 g in poly bottle