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

Basic Information

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CAS Number

17153-20-7

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

Melting Point

183-190 ºC

Boiling Point

303.6°C at 760 mmHg

Density

1.348

Flash Point

303.6 °C at 760 mmHg

Refractive Index

1.514

SMILES

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CC1=NOC=C1C(=O)O

InChI

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

InChIKey

YBLSBWHFPXDRHC-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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

A811334
4-Carboxy-3-methylisoxazole
SCHEMBL263448
3-Methyl-4-isoxazolecarboxylicacid
EN300-99518
17153-20-7
3-methyl-4-isoxazolecarboxylic acid
3-methyl-isoxazole-4-carboxylic acid
A3783
3-Methyl-4-isoxazolecarboxylic acid, AldrichCPR
3-methyl-1,2-oxazole-4-carboxylic Acid
PS-5882
3-Methylisoxazole-4-carboxylicacid
MFCD01318161
FT-0616166
AM786
AKOS003674106
J-512856
3-Methylisoxazole-4-carboxylic acid
CS-W002761
3-methylisoxazole-s-carboxylic acid
SY014142
DTXSID20404622
4-Isoxazolecarboxylic acid, 3-methyl-
3-Methylisoxazole-4-
3-methyl-1,2-oxazole-4-carboxylic acid
AKOS PAO-1630
3-Methyl-4-Isoxazolecarboxylic Acid(WX614141)
3-Methyl-1,2-oxazole-4-carboxylic acid, 4-Carboxy-3-methylisoxazole
3-METHYLISOXAZOLE-4-CARBOXYLIC ACID, 98+%
YBLSBWHFPXDRHC-UHFFFAOYSA-N

MDL Number

MFCD01318161

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Methyl-1,2-oxazole-4-carboxylic acid (CAS: 17153-20-7)?

3-Methyl-1,2-oxazole-4-carboxylic acid is a white crystalline solid with a molecular weight of 132.15 g/mol. It is slightly soluble in water and sparingly soluble in ethanol. Chemically, it is reactive towards nucleophiles and can undergo esterification, amide formation, and other reactions.

How is 3-Methyl-1,2-oxazole-4-carboxylic acid (CAS: 17153-20-7) typically synthesized?

3-Methyl-1,2-oxazole-4-carboxylic acid can be synthesized via the condensation of 3-methyloxazole with acetic anhydride, followed by acid hydrolysis. Alternatively, it can be prepared by reacting methyl acetoacetate with methyl iodide in the presence of a base such as sodium hydride.

What industries use 3-Methyl-1,2-oxazole-4-carboxylic acid (CAS: 17153-20-7)?

3-Methyl-1,2-oxazole-4-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the chemical sensors industry for detection purposes. It is also utilized in the semiconductor industry as a precursor for various functional materials.

What precautions should be taken when handling 3-Methyl-1,2-oxazole-4-carboxylic acid (CAS: 17153-20-7)?

Proper handling of 3-Methyl-1,2-oxazole-4-carboxylic acid requires the use of personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, it should be handled with caution and cleaned up using appropriate procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.