1-Methyl-1H-imidazole-5-carboxylic acid

Basic Information

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CAS Number

41806-40-0

Molecular Formula

C5H6N2O2

Molecular Weight

126.11 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

Yellow to Brown Solid

Melting Point

192-228 °C

Boiling Point

399°C at 760 mmHg

Density

1.34

Flash Point

195.1℃

SMILES

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CN1C=NC=C1C(=O)O

InChI

InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9)

InChIKey

PBEDVTDUVXFSMW-UHFFFAOYSA-N

LogP

0.1182999999999999

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

126

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Sensitive to light and heat, prone to hydrolysis

Synonyms & References

English

MFCD00955677
3-methylimidazole-4-carboxylic Acid
1-Methyl-1H-imidazole-5-carboxylicacid
CS-W002710
41806-40-0
3-methyl-4-imidazolecarboxylic acid
PBEDVTDUVXFSMW-UHFFFAOYSA-N
CL2207
A6871
1-methylimidazol-5-ylcarboxylic acid
1-methyl-5-imidazole carboxylic acid
AS-5483
1-methyl-1H-imidazole-5-carboxylic acid
FT-0602772
EN300-88417
W-206522
AC-3065
1-METHYL-1H-5-IMIDAZOLECARBOXYLIC ACID
AKOS015995570
1-methyl-5-imidazolecarboxylic acid
Z1201620699
AM20100108
1-methylimidazole-5-carboxylicacid
3-methyl-3H-imidazole-4-carboxylic acid
DTXSID70378506
F8881-6570
PB24704
1-methylimidazole-5-carboxylic acid
SY003725
AKOS005174555
SCHEMBL301936

MDL Number

MFCD00955677

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0)?

1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0) falls under the scope of several regulatory guidelines. It must comply with the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals, which includes specific hazard classifications. For European Union manufacturers and importers, REACH regulations apply, requiring registration and reporting. Additionally, the FDA and EPA have specific requirements for handling and storage, particularly regarding waste management and environmental protection.

Are there alternatives to 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0) in synthesis?

Several alternatives can be considered for synthesizing 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0). These include using related imidazole derivatives such as 1,2-dimethylimidazole or 2-methylimidazole as starting materials. Alternative reagents like methyl chloroformate or formic acid can also be used as substitutes in the synthesis process. It's important to evaluate the specific application to choose the most suitable alternative.

What is the market or research trend for 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0)?

The market for 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0) shows increasing demand driven by its applications in pharmaceuticals, agrochemicals, and materials science. Research trends focus on its use as a precursor for other compounds and its potential as a biocide. Market trends indicate a growing interest in environmentally friendly applications, which is driving innovation in its uses and formulations.

How should waste containing 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0) be handled?

Waste containing 1-Methyl-1H-imidazole-5-carboxylic acid (CAS: 41806-40-0) should be managed according to the Globally Harmonized System (GHS) and local regulations. Collect waste in appropriate containers and ensure proper labeling. Incineration is a common method for disposal, but professional waste disposal services should be utilized. Implement appropriate environmental protection measures to prevent contamination of soil and water. Follow all relevant environmental protection guidelines to ensure safe and compliant waste management.