3-Methyl-1,2-oxazole-5-carboxylic acid

Basic Information

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CAS Number

4857-42-5

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

Physical State

White to Yellow Solid

Melting Point

204-214°C

Boiling Point

312.5°Cat760mmHg

Density

1.348

Flash Point

142.8°C

SMILES

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CC1=NOC(=C1)C(=O)O

InChI

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

InChIKey

HXIYCKAAQPHZBM-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

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BAS 10142371
AC-23153
3-methyl-5-carboxyl-isoxazole
AKOS000302671
EN300-13477
J-512915
AM20100200
MFCD00464222
5-Isoxazolecarboxylicacid, 3-methyl-
BDBM50211361
CL3463
3-Methylisoxazole-5-carboxylic acid
SCHEMBL222184
M2953
3-Methyl-isoxazole-5-carboxylic acid
Z90660974
3-methyl-1,2-oxazole-5-carboxylic acid
CHEMBL393428
3-methyl-5-carboxyisoxazole
F2124-0612
5-Isoxazolecarboxylic acid, 3-methyl-
4857-42-5
NS00045163
SY033484
CS-W005033
HMS1695I02
AS-5178
5-Carboxy-3-methylisoxazole
FT-0647857
DS-0689
3-Methyl-5-isoxazolecarboxylic acid

MDL Number

MFCD00464222

Customs Code

2934999090

FAQ

What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound with the molecular formula C5H5NO2. It is a white solid with a pungent smell and is commonly used in chemical synthesis and pharmaceuticals.

What are the main uses of 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is primarily used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It also serves as a starting material in research and development for various applications.

Is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) safe?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is generally considered safe when handled properly. It is important to follow all safety guidelines, including wearing appropriate protective gear and handling in a well-ventilated area. Ingestion or inhalation should be avoided, and it should be stored away from heat and ignition sources.

How should 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) be stored?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) should be stored in a cool, dry place, protected from moisture and heat. Store it in a tightly sealed container to prevent contamination. Avoid exposure to light and keep out of reach of children and unauthorized personnel.