5-Nitro-1H-3,1-benzimidazol-1-ium nitrate

Basic Information

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CAS Number

27896-84-0

Molecular Formula

C7H6N4O5

Molecular Weight

226.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

220-222 ºC

Boiling Point

475.7 °C at 760 mmHg

Flash Point

241.5 °C

SMILES

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C1=CC2=C(C=C1[N+](=O)[O-])NC=N2.[N+](=O)(O)[O-]

InChI

InChI=1S/C7H5N3O2.NO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4,8H;/q+1;-1

InChIKey

DFTTUIWUWJQINQ-UHFFFAOYSA-N

LogP

2.16980

Complexity

216

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5-Nitro-1H-benzo[d]imidazole nitrate
5-Nitrobenzimidazole, nitrate
N0151
5-Nitrobenzimidazole mononitrate
EINECS 248-716-4
6-Nitrobenzimidazole nitrate
MFCD00013157
1H-Benzimidazole, 5-nitro-, mononitrate
W-107087
5-Nitrobenzimidazole Nitrate
A819233
SCHEMBL4907401
27896-84-0
D91649
AKOS016010395
Benzimidazole, 5-nitro-, mononitrate
nitric acid;6-nitro-1H-benzimidazole
FT-0620703
5-Nitrobenzimidazolium nitrate
1H-Benzimidazole, 6-nitro-, nitrate (1:1)
LS-13264
nitric acid; 6-nitro-1H-benzimidazole
AKOS015889607
Z2831602183
5-Nitrobenzimidazolenitrate
DTXSID50885405
5-nitrobenzimidazole nitrate
5-nitrobenzimidazolium nitrate
6-Nitrobenzimidazolenitrate
nitric acid,6-nitro-1H-benzimidazole
1H-Benzimidazole,5-nitro-,mononitrate

MDL Number

MFCD00013157

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0)?

5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). Regulatory guidelines include the European Union's REACH regulations and United States EPA and FDA requirements. Proper handling, storage, and disposal must comply with these guidelines to ensure safety and environmental protection.

Are there alternatives to 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate in synthesis (CAS: 27896-84-0)?

Several alternatives to 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate exist in synthetic chemistry, such as 4-nitro-1H-3,1-benzimidazol-1-ium nitrate and 6-nitro-1H-3,1-benzimidazol-1-ium nitrate. These compounds may offer similar properties but with different reactivity and solubility, making them suitable for various applications depending on the specific needs of the synthesis.

What is the market or research trend for 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0)?

The market for 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0) is driven by its applications in pharmaceuticals and materials science. Research trends include its use as a precursor in organic synthesis and its potential as a catalytic agent. Market analysis indicates increasing demand, particularly in the development of new drug candidates and advanced materials.

How should waste containing 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0) be handled?

Waste containing 5-Nitro-1H-3,1-benzimidazol-1-ium nitrate (CAS: 27896-84-0) should be collected in appropriate containers and stored separately to prevent contamination. Proper disposal methods include incineration or professional waste disposal services that comply with local regulations. Handling should be performed with personal protective equipment to ensure safety and minimize environmental impact.