2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) | CAS No. 68876-96-0

2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1)

Basic Information

CAS Number

68876-96-0

Molecular Formula

C7H11ClO3

Molecular Weight

178.61 g/mol

AD

Basic Physical Properties

C1C(O1)CCl.C(C#CCO)O

InChI

InChI=1S/C4H6O2.C3H5ClO/c5-3-1-2-4-6;4-1-3-2-5-3/h5-6H,3-4H2;3H,1-2H2

InChIKey

NHNWEVUXQTXHJI-UHFFFAOYSA-N

LogP

-0.40160

Complexity

104

Synonyms & References

English

  • But-2-yne-1,4-diol2-(chloromethyl)oxirane
  • 68441-62-3
  • EINECS 270-106-1
  • EINECS 272-537-0
  • but-2-yne-1,4-diol;2-(chloromethyl)oxirane
  • DTXSID40987982
  • EINECS 270-079-6
  • 68876-96-0
  • 68410-08-2
  • BUT-2-YNE-1,4-DIOL 2-(CHLOROMETHYL)OXIRANE
  • BCE
  • SCHEMBL1462576
  • But-2-yne-1,4-diol--2-(chloromethyl)oxirane (1/1)
  • But-2-yne-1,4-diol 2-(chloromethyl)oxirane
  • 2-Butyn-1,4-diol,epichlorohydrin ethers
  • 2-Butyne-1,4-diol bis chlorohydrin ether
  • 2-Butyne-1,4-diol,reaction products with epichlorohydrin
  • Einecs 272-537-0
  • REACTION PRODUCTS OF 2-BUTYNE-1,4-DIOL WITH EPICHLOROHYDRIN
  • Reaction products of butynediol with epichlorohydrin

FAQ

What are the physical and chemical properties of 2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) (CAS: 68876-96-0)?

2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) is a crystalline solid with a molecular weight of approximately 193.22 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is reactive, particularly towards nucleophiles and can undergo addition reactions. It is also prone to ring-opening due to the presence of the oxirane ring.

How is 2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) (CAS: 68876-96-0) typically synthesized?

2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) is synthesized through a series of steps including the reaction of 2-butyne-1,4-diol with chloromethyl oxirane. This reaction is typically conducted under mild conditions, often in the presence of a base to facilitate the nucleophilic substitution. The yield and selectivity can be enhanced by using appropriate solvents and reaction temperatures.

What industries use 2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) (CAS: 68876-96-0)?

2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) is primarily used in pharmaceuticals for the synthesis of certain drugs, as well as in the production of polymers for various applications. It also finds use in the development of sensors and semiconductors, where its reactivity and specific chemical properties make it valuable.

What precautions should be taken when handling 2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1) (CAS: 68876-96-0)?

When handling 2-Butyne-1,4-diol - 2-(chloromethyl)oxirane (1:1), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be well ventilated. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed handling and safety information.

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