1-Methyl-1H-imidazole-2-carboxylic acid

Basic Information

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CAS Number

20485-43-2

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

Melting Point

104 °C (dec.)

Boiling Point

339.4℃ at 760 mmHg

Density

1.34

Flash Point

159.1℃

SMILES

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CN1C=CN=C1C(=O)O

InChI

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

InChIKey

WLDPWZQYAVZTTP-UHFFFAOYSA-N

LogP

0.1182999999999999

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

126

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

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

Stability

Temperature Sensitive

Sensitiveness

Hygroscopic

Synonyms & References

English

SCHEMBL17510050
M2547
FT-0608089
Q27144872
CHEBI:74743
PS-3341
MFCD01863421
AC-3085
AM803482
DTXSID00339660
N-methyl-imidazole-2-carboxylic acid
PB21787
1-Methyl-1H-imidazole-2-carboxylic acid, technical grade, 90%
1-Methyl-1H-imidazole-2-carboxylic acid
SCHEMBL114011
1-methylimidazole-2-carboxylic acid
CS-W004706
20485-43-2
1-METHYL-1H-2-IMIDAZOLECARBOXYLIC ACID
Lithium 1-Methyl-1H-imidazole-2-carboxylat
CHEMBL5177183
BB 0253147
F2124-0530
EN300-04016
1H-Imidazole-2-carboxylic acid, 1-methyl-
1-methyl-imidazole-2-carboxylic acid
AKOS000122544
SY003797
Imidazole-2-carboxylic acid, 1-methyl-
1-Methyl-1H-imidazole-2-carboxylic acid #
1-Methylimidazole-2-carboxylic acid

MDL Number

MFCD01863421

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2)?

1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2) is a white to off-white crystalline solid with a molecular weight of approximately 148.17 g/mol. It is sparingly soluble in water and ethanol. It exhibits moderate acidity and can react with bases to form salts. This compound is stable under normal conditions but reacts with strong oxidizers to produce gaseous products.

How is 1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2) typically synthesized?

1-Methyl-1H-imidazole-2-carboxylic acid can be synthesized through the condensation of methyl isocyanate with imidazole, followed by hydrolysis. Commonly, a mild base is used as a catalyst, with a yield of up to 85%. The reaction is typically carried out in a solvent such as methanol or ethanol under mild conditions to ensure high selectivity.

What industries use 1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2)?

1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2) is utilized in various industries, including pharmaceuticals for drug synthesis, polymers for functional materials, and sensors for analytical applications. It is also used in the semiconductor industry as a precursor for metal organic compounds.

What precautions should be taken when handling 1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2)?

When handling 1-Methyl-1H-imidazole-2-carboxylic acid (CAS: 20485-43-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information.