1H-Imidazole-4,5-dicarboxylic acid

Basic Information

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CAS Number

570-22-9

Molecular Formula

C5H4N2O4

Molecular Weight

156.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

280-285 °C (dec.)

Boiling Point

280.29°C (rough estimate)

Flash Point

335.5℃

Solubility

0.5g/l

Refractive Index

1.4800 (estimate)

SMILES

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C1=NC(=C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

InChIKey

ZEVWQFWTGHFIDH-UHFFFAOYSA-N

LogP

-0.19389999999999996

Topological Polar Surface Area

103.27999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

193

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Glycoxalinedicarboxylic acid
SCHEMBL245
4,5-Imidazoledicarboxylic acid, 97%
AKOS000271189
1H-imidazol-4,5-dicarbonsäure
FT-0617152
Glyoxalinedicarboxylic acid
SR-01000390392-1
DP9E7PEL2M
J-640097
Q-200419
alpha,beta-Imidazoledicarboxylic acid
UNII-DP9E7PEL2M
BRN 0147774
.alpha.,.beta.-Imidazoledicarboxylic acid
NSC9236
4,5-imidazole dicarboxylic acid
DS-1950
SY003804
TS-00079
DTXSID6060349
Q65053199
5-25-05-00344 (Beilstein Handbook Reference)
EN300-18180
NSC 9236
alpha,beta-imidazole dicarboxylic acid
EU-0017809
EINECS 209-327-5
AC-22500
MFCD00005200
A831284

MDL Number

MFCD00005200

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9)?

1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) is subject to various regulatory guidelines. It falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and may require specific handling and storage based on its corrosive properties. Additionally, it is regulated under REACH in the EU, and must comply with FDA and EPA safety standards, particularly regarding its use in products intended for consumer or industrial applications.

Are there alternatives to 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) in synthesis?

There are several alternatives to 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) in synthesis. Common alternatives include 1H-Imidazole, 1H-Benzimidazole, and related carboxylic acids. These alternatives can serve similar functional roles in various chemical reactions, depending on the specific requirements of the synthesis process.

What is the market or research trend for 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9)?

The market for 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) is influenced by its use in the development of pharmaceuticals, agrochemicals, and materials science. Recent research trends focus on its potential applications in drug discovery and as a precursor in the synthesis of novel organic compounds. Price trends are generally stable, with demand driven by ongoing research and industrial applications.

How should waste containing 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) be handled?

Waste containing 1H-Imidazole-4,5-dicarboxylic acid (CAS: 570-22-9) should be handled with care due to its corrosive nature. Waste should be collected in appropriate containers and stored separately to prevent contamination. Incineration is a common method of disposal, but professional waste disposal services should be used. Ensure all safety precautions are followed to protect the environment and human health. Compliance with local hazardous waste regulations is essential.