4-Methyl-1,2-oxazole-3-carboxylic acid

Basic Information

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CAS Number

215872-46-1

Molecular Formula

C5H5NO3

Molecular Weight

127.1 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

Boiling Point

309.7°C at 760 mmHg

SMILES

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CC1=CON=C1C(=O)O

InChI

InChI=1S/C5H5NO3/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)

InChIKey

OFLBJRPOLLXDSC-UHFFFAOYSA-N

LogP

0.6812199999999999

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

125

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

CS-0187040
OFLBJRPOLLXDSC-UHFFFAOYSA-N
4-methyl-isoxazole-3-carboxylic acid
3-Isoxazolecarboxylic acid, 4-methyl-
EN300-73572
SY102755
4-methylisoxazole-3-carboxylic acid
4-Methyl-1,2-oxazole-3-carboxylic acid
4-methylisoxazole-3-carboxylicacid
DTXSID70619562
MFCD11870845
A4639
FT-0692197
Methylisoxazolcarbonsaure
4-methyl-1, 2-oxazole-3-carboxylic acid
215872-46-1
C74055
BB 0259426
Z1160906137
DS-3693
AKOS006380855
SCHEMBL1026251
4-Methylisoxazole-3-carboxylic acid
4-methyl-1,2-oxazole-3-carboxylic acid
3-Isoxazolecarboxylicacid,4-methyl
3-Isoxazolecarboxylicacid,4-methyl-
0980AB
3-Isoxazolecarboxylicacid, 4-methyl-
AK101261
S

MDL Number

MFCD11870845

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Methyl-1,2-oxazole-3-carboxylic acid (CAS: 215872-46-1)?

4-Methyl-1,2-oxazole-3-carboxylic acid is a white crystalline solid with a molecular weight of 145.17 g/mol. It has a solubility of about 1.5 g/L in water. Chemically, it is reactive, particularly towards nucleophiles. It is slightly soluble in common organic solvents like ethanol and methanol.

How is 4-Methyl-1,2-oxazole-3-carboxylic acid (CAS: 215872-46-1) typically synthesized?

4-Methyl-1,2-oxazole-3-carboxylic acid can be synthesized via the condensation of methyl acetoacetate with formaldehyde and subsequent acidification. This reaction is typically catalyzed by an acid, such as sulfuric acid, and proceeds with good selectivity and moderate to high yield.

What industries use 4-Methyl-1,2-oxazole-3-carboxylic acid (CAS: 215872-46-1)?

4-Methyl-1,2-oxazole-3-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs, and in the chemical industry as a precursor for various organic compounds. It also finds applications in the production of polymers and as a reagent in analytical chemistry and sensor technology.

What precautions should be taken when handling 4-Methyl-1,2-oxazole-3-carboxylic acid (CAS: 215872-46-1)?

When handling 4-Methyl-1,2-oxazole-3-carboxylic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up according to standard procedures, and the safety data sheet (SDS) should be consulted for detailed instructions.