Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate

Basic Information

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CAS Number

95312-27-9

Molecular Formula

C6H6BrNO3

Molecular Weight

220.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)C1=NOC(=C1)CBr

InChI

InChI=1S/C6H6BrNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h2H,3H2,1H3

InChIKey

ARDHGTWSZBQZMX-UHFFFAOYSA-N

LogP

1.3561

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

153

Synonyms & References

English

3-Isoxazolecarboxylic acid, 5-(bromomethyl)-, methyl ester
methyl 5-(bromomethyl)isoxazole-3-carboxylate
Methyl 5-bromomethylisoxazole-3-carboxylate
AKOS026726768
CS-W000435
SCHEMBL5243287
METHYL 5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE
DB-320015
VDA31227
methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
95312-27-9
METHYL5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE
EN300-54804

MDL Number

MFCD11975679

FAQ

What is Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9)?

Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) is a chemical compound with the molecular formula C7H7BrNO3. It is a white or off-white solid with a pungent odor. This compound is used in various applications, including pharmaceuticals and research.

What are the main uses of Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9)?

Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) is primarily used in the pharmaceutical industry as a precursor in the synthesis of other compounds. It is also used in research for chemical synthesis and as a reagent in organic chemistry.

Is Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) safe?

Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) is generally safe when handled with proper precautions. It is important to avoid inhalation and contact with skin and eyes. Protective measures include wearing gloves, goggles, and appropriate laboratory clothing.

How should Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) be stored?

Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (CAS: 95312-27-9) should be stored in a cool, dry, and well-ventilated area away from sources of heat and ignition. It should be kept in a tightly sealed container to protect it from moisture and exposure to light.