3-(Chloromethyl)-1,2-oxazole

Basic Information

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CAS Number

57684-71-6

Molecular Formula

C4H4ClNO

Molecular Weight

117.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CON=C1CCl

InChI

InChI=1S/C4H4ClNO/c5-3-4-1-2-7-6-4/h1-2H,3H2

InChIKey

MKFCBJOVMMLPRT-UHFFFAOYSA-N

LogP

1.4134

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

59.7

Synonyms & References

English

3-chloromethylisoxazole
chloromethyl isoxazole
FT-0649859
CS-0085312
EN300-24261
Isoxazole, 3-(chloromethyl)-
MKFCBJOVMMLPRT-UHFFFAOYSA-N
3-(Chloromethyl)isoxazole
3-(chloromethyl)-1,2-oxazole
DTXSID70406737
F13567
MB04274
57684-71-6
AKOS000271175
3-(chloromethyl)-isoxazole
ISOXAZOLE,3-(CHLOROMETHYL)-
F8880-5747
SCHEMBL541847
A831556
BS-12745
3-Chloromethyl-isoxazole
MFCD06809646
3-Chlormethyl-isoxazol
3-chloromethyl isoxazole
3-isoxazolylmethyl chloride
Isoxazole,3-(chloromethyl)

MDL Number

MFCD06809646

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(Chloromethyl)-1,2-oxazole (CAS: 57684-71-6)?

3-(Chloromethyl)-1,2-oxazole is a crystalline solid with a molecular weight of approximately 128.54 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 3-(Chloromethyl)-1,2-oxazole (CAS: 57684-71-6) typically synthesized?

3-(Chloromethyl)-1,2-oxazole can be synthesized via the Wittig reaction of 1,2-oxazole and methyl chloroformate. This method provides good yield and selectivity. Another approach involves the chloromethylation of 1,2-oxazole using thionyl chloride in the presence of a base.

What industries use 3-(Chloromethyl)-1,2-oxazole (CAS: 57684-71-6)?

3-(Chloromethyl)-1,2-oxazole finds applications in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the modification of polymer properties. It is also used in sensor technology and can be employed in the production of semiconductors.

What precautions should be taken when handling 3-(Chloromethyl)-1,2-oxazole (CAS: 57684-71-6)?

When handling 3-(Chloromethyl)-1,2-oxazole, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Work should be conducted in a fume hood due to its volatility. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.