2-Methyl-1H-imidazole-4-carboxylic acid

Basic Information

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CAS Number

1457-58-5

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

Boiling Point

475.8°C at 760 mmHg

Density

1.404

Flash Point

241.5℃

Refractive Index

1.595

SMILES

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CC1=NC=C(N1)C(=O)O

InChI

InChI=1S/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)

InChIKey

DTUIYOVMTFYCBZ-UHFFFAOYSA-N

LogP

0.4163199999999999

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 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

Synonyms & References

English

2-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
AB05025
SY015260
2-Methyl-1H-imidazole-4-carboxylic acid #
FT-0671850
10-Hydroxy Norhydrocodone
2-methyl-1H-imidazole-5-carboxylicacid
1H-Imidazole-5-carboxylic acid, 2-methyl-
1457-58-5
1H-Imidazole-4-carboxylic acid, 2-methyl-
AKOS005362977
MFCD00234110
EINECS 215-943-5
NS00024755
2-Methyl-1H-imidazole-4-carboxylicacid
2-Methylimidazole-4-carboxylic acid
2-Methyl-1H-imidazole-4-carboxylic acid
NSC109147
NSC 109147
BS-13117
SCHEMBL170375
2-methyl-1H-imidazole-5-carboxylic acid
F8881-4124
YSCH0200
AM84418
AKOS011535464
2-methyl-1H-imidazole-4-carboxylic acid;2-Methyl-1H-imidazole-5-carboxylic acid
J-509906
DTXSID20163141
2-Methyl-imidazol-4-carbonsaure
A26108

MDL Number

MFCD00234110

Customs Code

2933290090

FAQ

What is 2-Methyl-1H-imidazole-4-carboxylic acid (CAS: 1457-58-5)?

2-Methyl-1H-imidazole-4-carboxylic acid (CAS: 1457-58-5) is a organic compound with the formula C5H7NO2. It is a weak organic base with a pKa of about 6. It is used in the synthesis of various pharmaceuticals and as a reagent in organic chemistry.

What are the main uses of 2-Methyl-1H-imidazole-4-carboxylic acid (CAS: 1457-58-5)?

2-Methyl-1H-imidazole-4-carboxylic acid is primarily used in the pharmaceutical industry for the synthesis of antifungal and antiviral drugs. It is also used as a reagent in organic chemistry and in the production of some agricultural chemicals.

Is 2-Methyl-1H-imidazole-4-carboxylic acid (CAS: 1457-58-5) safe?

2-Methyl-1H-imidazole-4-carboxylic acid is generally safe when handled properly. However, it should be used with caution as it may irritate the eyes and skin. Protective gloves and goggles should be worn during handling. Ensure good ventilation when working with this compound.

How should 2-Methyl-1H-imidazole-4-carboxylic acid (CAS: 1457-58-5) be stored?

2-Methyl-1H-imidazole-4-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent moisture and air exposure. Store in a well-ventilated area to avoid inhalation risks.