5-Isopropylisoxazole-3-carboxylic acid

Basic Information

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CAS Number

89776-74-9

Molecular Formula

C7H9NO3

Molecular Weight

155.15 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

69-73 °C

SMILES

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CC(C)C1=CC(=NO1)C(=O)O

InChI

InChI=1S/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10)

InChIKey

AYWGKTMGWXRLRO-UHFFFAOYSA-N

LogP

1.4962000000000002

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

158

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Isopropylisoxazole-3-carboxylic acid
3-Isoxazolecarboxylic acid, 5-(1-methylethyl)-
5-propan-2-yl-1,2-oxazole-3-carboxylic acid
3-Isoxazolecarboxylicacid, 5-isopropyl- (7CI)
5-Isopropyl-isoxazole-3-carboxylic acid
3-Isoxazolecarboxylic acid, 5-isopropyl- (7CI)
5-(1-Methylethyl)-3-isoxazolecarboxylic acid (ACI)
DTXSID50424333
AKOS000263470
3-ISOXAZOLECARBOXYLIC ACID, 5-(1-METHYLETHYL)-
89776-74-9
AB28186
EN300-24316
MFCD06738923
5-Isopropylisoxazole-3-carboxylic acid, 97%
s10283
CS-0061028
Z182952422
3-Isoxazolecarboxylicacid, 5-(1-methylethyl)-
STK342208
DB-028497
5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid
SCHEMBL313667
SY081806
HMS1700B12
5-Isopropylisoxazole-3-carboxylicacid
AYWGKTMGWXRLRO-UHFFFAOYSA-N
ALBB-009770
F9995-2640
VS-0332
A1-00174

MDL Number

MFCD06738923

Customs Code

2934999090

FAQ

What is 5-Isopropylisoxazole-3-carboxylic acid (CAS: 89776-74-9)?

5-Isopropylisoxazole-3-carboxylic acid is an organic compound with the CAS number 89776-74-9. It has the chemical formula C8H11NO2 and is used in pharmaceuticals and research. This compound is colorless and has a pungent odor.

What are the main uses of 5-Isopropylisoxazole-3-carboxylic acid (CAS: 89776-74-9)?

5-Isopropylisoxazole-3-carboxylic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also used in research for studying biological activities and in various chemical synthesis reactions.

Is 5-Isopropylisoxazole-3-carboxylic acid (CAS: 89776-74-9) safe?

5-Isopropylisoxazole-3-carboxylic acid is generally safe when handled with proper precautions. It is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Avoid inhalation and contact with skin or eyes. Proper ventilation is recommended during use.

How should 5-Isopropylisoxazole-3-carboxylic acid (CAS: 89776-74-9) be stored?

5-Isopropylisoxazole-3-carboxylic acid should be stored in a cool, dry place away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid direct sunlight and high humidity conditions to maintain its stability.