5-Methyl-1,2-oxazole-3-carbonyl chloride

Basic Information

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CAS Number

39499-34-8

Molecular Formula

C5H4ClNO2

Molecular Weight

145.55 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

243.7°C at 760 mmHg

Density

1.345

Flash Point

101.2°C

Refractive Index

1.498

SMILES

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CC1=CC(=NO1)C(=O)Cl

InChI

InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3

InChIKey

XMVNMWDLOGSUSM-UHFFFAOYSA-N

LogP

1.36202

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

128

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

5-methylisoxazole-3-carboxylic acid chloride
5-Methylisoxazole-3-carbonyl chloride
XMVNMWDLOGSUSM-UHFFFAOYSA-N
AMY13358
DTXSID80192639
5-methyl-3-isoxazolecarbonyl chloride
5-methylisoxazol-3-carbonyl chloride
EINECS 254-475-6
5-methyl-3-isoxazoyl chloride
J-517814
44ERP489RE
MFCD00085127
5-methylisoxazole carbonyl chloride
BB 0258230
NS00030588
SCHEMBL52290
5-methyl-1,2-oxazole-3-carbonyl chloride
39499-34-8
5-methylisoxazol-3-ylcarbonyl chloride
BCP22812
A824575
5-methylisoxazole-3-carbonyl chloride, AldrichCPR
AKOS005172606
3-Isoxazolecarbonyl chloride, 5-methyl-
FT-0620662
5-METHYLISOXAZOLE-3-CARBONYLCHLORIDE
F2160-0002
5-methyl-isoxazole-3-carbonyl chloride
AS-31269
5-methylisoxazole-3-carbonyl chloride
5-methyl isoxazole 3-carboxylic acid chloride

MDL Number

MFCD00085127

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Methyl-1,2-oxazole-3-carbonyl chloride (CAS: 39499-34-8)?

5-Methyl-1,2-oxazole-3-carbonyl chloride is a white crystalline solid with a molecular weight of 150.03 g/mol. It has a slight pungent odor and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it reacts readily with nucleophiles and is an electrophilic reagent in condensation reactions.

How is 5-Methyl-1,2-oxazole-3-carbonyl chloride (CAS: 39499-34-8) typically synthesized?

5-Methyl-1,2-oxazole-3-carbonyl chloride is typically synthesized by reacting 5-methyl-1,2-oxazole with thionyl chloride. The reaction yields a white solid with high selectivity and a good yield, making it a reliable method for industrial production.

What industries use 5-Methyl-1,2-oxazole-3-carbonyl chloride (CAS: 39499-34-8)?

5-Methyl-1,2-oxazole-3-carbonyl chloride is commonly used in pharmaceuticals for the synthesis of various drugs, as a precursor in polymer chemistry for creating functional materials, and in sensor technologies due to its reactivity with amines.

What precautions should be taken when handling 5-Methyl-1,2-oxazole-3-carbonyl chloride (CAS: 39499-34-8)?

When handling 5-Methyl-1,2-oxazole-3-carbonyl chloride, use personal protective equipment such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Store in a cool, dry place away from heat and oxidizers. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.