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6484-52-2 molecular structure
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ammonium nitrooxidane

ChemBase ID: 105723
Molecular Formular: H4N2O3
Molecular Mass: 80.04336
Monoisotopic Mass: 80.022192
SMILES and InChIs

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

Cite this record

CBID:105723 http://www.chembase.cn/molecule-105723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) 0.8368004 
LogD (pH = 7.4) 0.8368004  Log P 0.8368004 
Molar Refractivity 8.3471 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 66.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
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
expand Show data source
Freely soluble in water expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Apperance
Crystalline expand Show data source
Granular expand Show data source
white/grey solid expand Show data source
Melting Point
169 °C(lit.) expand Show data source
169.6 °C expand Show data source
170 °C expand Show data source
170°C expand Show data source
Boiling Point
approx. 210 °C decomp. expand Show data source
210 °C with decomposition expand Show data source
210 °C(lit.) expand Show data source
210°C dec. expand Show data source
Density
1.72 expand Show data source
1.725 g/cm3 (20 °C) expand Show data source
1.725 g/cm3 at 25 °C expand Show data source
Vapor Pressure
Inorganic solid, not applicable. expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
BR9050000 expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
0222 – with > 0.2% combustible substances
1942 – with <= 0.2% combustible substances
2067 – fertilizers
2426 – liquid
expand Show data source
1942 expand Show data source
UN1942 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
1Y expand Show data source
Risk Statements
8-36/37/38 expand Show data source
8-9-36/37/38 expand Show data source
R:8-36/37/38 expand Show data source
Safety Statements
17-26-36 expand Show data source
17-26-37-60 expand Show data source
S:17-20-25-26-37/39 expand Show data source
EU Classification
O2 expand Show data source
EU Hazard Identification Number
5.1B expand Show data source
Emergency Response Guidebook(ERG) Number
140 expand Show data source
TSCA Listed
expand Show data source
EU Index
not listed expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
Explosive expand Show data source
NFPA704
NFPA 704 diagram
0
1
3
OX
expand Show data source
LD50
2085–5300 mg/kg (oral in rats, mice) expand Show data source
Explosive Velocity
5270 m/s expand Show data source
Friction Sensitivity
very low expand Show data source
Shock Sensitivity
very low expand Show data source
GHS Hazard statements
H271-H315-H319-H335-H303 expand Show data source
H272-H315-H319-H335 expand Show data source
GHS Precautionary statements
P220-P261-P305 + P351 + P338 expand Show data source
P221-P283-P210-P305+P351+P338-P405-P501A expand Show data source
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 expand Show data source
RID/ADR
UN 1942 5.1/PG 3 expand Show data source
Purity
≥98% expand Show data source
>99% expand Show data source
≥99.5% expand Show data source
95% min expand Show data source
99.999% (metals basis) expand Show data source
Grade
ACS expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
plant cell culture tested expand Show data source
Ignition Residue
≤0.01% expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.005% Insoluble matter expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Ca: ≤0.005% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.0005% expand Show data source
K: ≤0.005% expand Show data source
Mg: ≤0.0005% expand Show data source
Na: ≤0.005% expand Show data source
Pb: ≤0.001% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
chloride (Cl-): ≤0.0005% expand Show data source
sulfate (SO42-): ≤0.002% expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193856 external link
ACS Reagent Grade
Purity: >98%
MP Biomedicals - 02193857 external link
Ultra Pure Grade
Purity: >99%
Sigma Aldrich - A3795 external link
包装
2.5 kg in poly bottle
25 kg in fiber drum
500 g in poly bottle
Sigma Aldrich - A7455 external link
包装
2.5 kg in poly drum
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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