1-Methyl-1H-imidazole-4,5-dicarboxylic acid

Basic Information

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CAS Number

19485-38-2

Molecular Formula

C6H6N2O4

Molecular Weight

170.12 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

262°C

Boiling Point

531.6℃ at 760 mmHg

Flash Point

275.3℃

SMILES

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CN1C=NC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C6H6N2O4/c1-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12)

InChIKey

YARDQACXPOQDMO-UHFFFAOYSA-N

LogP

-0.1835000000000001

Topological Polar Surface Area

92.42 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

218

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

19485-38-2
1H-Imidazole-4,5-dicarboxylicacid,1-methyl-
AKOS005621297
AS-5267
Q63396089
F2199-0588
DTXSID50173137
1-Methylimidazole-4,5-dicarboxylic acid
1-Methylimidazole-4,5-dicarboxylicAcid
4,5-dicarboxy-N-methylimidazole
SY003848
SR-01000637628-1
AC-3110
1H-Imidazole-4,5-dicarboxylic acid, 1-methyl-
1-Methyl-1H-imidazole-4,5-dicarboxylicacid
AM85649
J-504948
A4282
4,5-Dicarboxy-1-methyl imidazole
MI-dicarboxylic acid
FT-0637860
M2156
SCHEMBL67836
1-methyl uracil
AB09214
1-methyl-1H-imidazole-4,5-dicarboxylic acid
YARDQACXPOQDMO-UHFFFAOYSA-N
BCP32358
4,5-DICARBOXY-1-METHYL-1H-IMIDAZOLE
CS-W010783
MFCD01552045

MDL Number

MFCD01552045

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-Methyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 19485-38-2)?

1-Methyl-1H-imidazole-4,5-dicarboxylic acid is a crystalline solid with a molecular weight of approximately 218.14 g/mol. It has a low solubility in water but excellent solubility in organic solvents. The compound is moderately reactive, particularly in acidic conditions, and can participate in esterification and amide formation reactions.

How is 1-Methyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 19485-38-2) typically synthesized?

1-Methyl-1H-imidazole-4,5-dicarboxylic acid can be synthesized by reacting 1-methylimidazole with carbon dioxide in the presence of a suitable catalyst. Common methods include the use of Lewis acids such as aluminum trichloride to promote the carboxylation reaction. The yield is typically around 70-80% with good selectivity.

What industries use 1-Methyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 19485-38-2)?

1-Methyl-1H-imidazole-4,5-dicarboxylic acid is used in the pharmaceutical industry for synthesizing complex molecules and as a building block in organic synthesis. It also finds applications in the polymer industry for modifying polymer properties and in the semiconductor industry as a dopant for organic electronics.

What precautions should be taken when handling 1-Methyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 19485-38-2)?

When handling 1-Methyl-1H-imidazole-4,5-dicarboxylic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Proper storage in a cool, dry place away from moisture and heat sources is recommended.