1,2-oxazole-3-carboxylic acid

Basic Information

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CAS Number

3209-71-0

Molecular Formula

C4H3NO3

Molecular Weight

113.07 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

149-152°C

Boiling Point

321.2°C at 760 mmHg

SMILES

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C1=CON=C1C(=O)O

InChI

InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)

InChIKey

UXYRXGFUANQKTA-UHFFFAOYSA-N

LogP

0.37279999999999996

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

104

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

Synonyms & References

English

MFCD06738796
isoxazolecarboxylic acid
AKOS000505618
DTXSID20461134
FT-0649203
TS-01566
AM20090462
A1-00857
J-503837
A821129
3-Isoxazolecarboxylic acid
CS-W008200
SY031545
EN300-22245
PB26232
Z147642256
Isoxazole-3-carboxylic acid
AC-14396
1,2-oxazole-3-carboxylic Acid
3209-71-0
SCHEMBL109365
3-isoxazolecarboxylic acid, AldrichCPR
Isoxazole-3-carboxylicacid
F8887-4797
isoxazole-3-carboxylic
1,2-Oxazole-3-carboxylic acid
isoxazole-3-carboxylic acid(SALTDATA: FREE)
AKOS PAO-1373
1,2-oxazole-3-carboxylic acid

MDL Number

MFCD06738796

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,2-oxazole-3-carboxylic acid (CAS: 3209-71-0)?

1,2-Oxazole-3-carboxylic acid is a crystalline solid with a molecular weight of approximately 125.11 g/mol. It is slightly soluble in water but soluble in organic solvents. The compound is reactive towards nucleophiles and can undergo condensation reactions. It has a pKa of about 7.2, indicating weak acidity.

How is 1,2-oxazole-3-carboxylic acid (CAS: 3209-71-0) typically synthesized?

1,2-Oxazole-3-carboxylic acid can be synthesized through the condensation of 3-amino-1,2-oxazole with formic acid. Other methods include the reaction of 1,2-oxazole with chloroacetic acid or carboxylation of 1,2-oxazol-3-yl methanol. These methods provide good yield and selectivity.

What industries use 1,2-oxazole-3-carboxylic acid (CAS: 3209-71-0)?

1,2-Oxazole-3-carboxylic acid is used in the pharmaceutical industry for the synthesis of biologically active compounds. It is also utilized in the production of polymers, particularly in the development of ionomers and in the manufacturing of sensors for detecting various gases and chemicals.

What precautions should be taken when handling 1,2-oxazole-3-carboxylic acid (CAS: 3209-71-0)?

When handling 1,2-oxazole-3-carboxylic acid, wear protective gloves and goggles. Work in a well-ventilated area or a fume hood. In case of spill, use appropriate absorbent material and dispose of it according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety and handling information.