2-(Chloromethyl)-5-methyl-1,3-benzoxazole | CAS No. 41014-44-2

2-(Chloromethyl)-5-methyl-1,3-benzoxazole

Basic Information

CAS Number

41014-44-2

Molecular Formula

C9H8ClNO

Molecular Weight

181.62 g/mol

AD

Basic Physical Properties

CC1=CC2=C(C=C1)OC(=N2)CCl

InChI

InChI=1S/C9H8ClNO/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5H2,1H3

InChIKey

HLMSMIKJAZQYJS-UHFFFAOYSA-N

LogP

2.875020000000001

Topological Polar Surface Area

26.03 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • 2-(Chloromethyl)-5-methylbenzo[d]oxazole
  • 2-(Chloromethyl)-5-methyl-1,3-benzoxazole
  • 2-(chloromethyl)-5-methylBenzoxazole
  • 2-Chloromethyl-5-methyl-benzooxazole
  • 2-(chloromethyl)-5-methyl-1,3-benzoxazole, AldrichCPR
  • MFCD07366537
  • 2-(chloromethyl)-5-methyl-1,3-benzoxazole
  • 2-(CHLOROMETHYL)-5-METHYLBENZO[D]OXAZOLE
  • DTXSID60377043
  • EN300-1261183
  • 1Z-0812
  • J-506305
  • SCHEMBL4063835
  • 2-(chloromethyl)-5-methylbenzoxazole
  • AT26624
  • 2-chloromethyl-5-methyl-benzoxazole
  • STK502832
  • AKOS000321417
  • AB30939
  • A914211
  • HLMSMIKJAZQYJS-UHFFFAOYSA-N
  • 41014-44-2

MDL Number

MFCD07366537

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-5-methyl-1,3-benzoxazole (CAS: 41014-44-2)?

2-(Chloromethyl)-5-methyl-1,3-benzoxazole is a white crystalline solid with a molecular weight of approximately 187.63 g/mol. It is slightly soluble in water and more soluble in common organic solvents like ethanol and acetone. The compound is known for its good thermal stability and low reactivity under normal conditions. It does not decompose readily and has minimal reactivity towards common acids and bases.

How is 2-(Chloromethyl)-5-methyl-1,3-benzoxazole (CAS: 41014-44-2) typically synthesized?

2-(Chloromethyl)-5-methyl-1,3-benzoxazole can be synthesized via the condensation of 4-chloromethyl-1,3-benzoxazol-2(3H)-one with methylamine. The reaction is typically carried out in the presence of a base like sodium hydroxide in an aprotic solvent like dimethylformamide (DMF). The yield and selectivity of the product can be enhanced by optimizing reaction conditions and using appropriate catalysts.

What industries use 2-(Chloromethyl)-5-methyl-1,3-benzoxazole (CAS: 41014-44-2)?

2-(Chloromethyl)-5-methyl-1,3-benzoxazole is used in various industries. In pharmaceuticals, it serves as a precursor for the synthesis of biologically active compounds. In the polymer industry, it can be used as a functional monomer for the synthesis of novel polymers. Additionally, it finds applications in sensor technology and semiconductor manufacturing due to its chemical stability and reactivity.

What precautions should be taken when handling 2-(Chloromethyl)-5-methyl-1,3-benzoxazole (CAS: 41014-44-2)?

When handling 2-(Chloromethyl)-5-methyl-1,3-benzoxazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to avoid inhalation of vapors. Spills should be cleaned up with care, using an appropriate absorbent material and disposing of it according to safety guidelines. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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