1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride | CAS No. 84545-70-0

1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride

Basic Information

CAS Number

84545-70-0

Molecular Formula

C5H8Cl2N4S

Molecular Weight

227.12 g/mol

EINECS

617-583-8

AD

Basic Physical Properties

NC(=N)Nc1nc(cs1)CCl.Cl

InChI

InChI=1S/C5H7ClN4S.ClH/c6-1-3-2-11-5(9-3)10-4(7)8;/h2H,1H2,(H4,7,8,9,10);1H

InChIKey

HPXWWLGOFMSKHV-UHFFFAOYSA-N

LogP

1.6090699999999998

Topological Polar Surface Area

74.79 Ų

Hydrogen Bond Donor/Acceptor

4 / 4

Synonyms & References

English

  • 2-Guanidino-4-Chloromethylthiazole hydrochloride
  • 1-(5-(chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride
  • N-((4-Chloromethyl)-2-thiazolyl)guanidine hydrochloride
  • N-((4-Chloromethyl)-2-thiozolyl)guanidine hydrochloride
  • Guanidine, [4-(chloromethyl)-2-thiazolyl]-, hydrochloride
  • 2-Guanidino-4-chloromethytthiazole hydrochloride
  • Guanidine,[4-(chloromethyl)-2-thiazolyl]-, hydrochloride (9CI)
  • Famotidine Impurity 5 HCl

MDL Number

MFCD09840249

EC Number

617-583-8

FAQ

What are the physical and chemical properties of 1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride (CAS: 84545-70-0)?

1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride is a white crystalline solid with a molecular weight of approximately 316.8 g/mol. It is moderately soluble in water and ethanol. This compound is reactive towards nucleophiles and may undergo displacement reactions. It has good solubility in polar solvents and poor solubility in non-polar solvents.

How is 1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride (CAS: 84545-70-0) typically synthesized?

1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride is synthesized by reacting 2-(5-chloromethyl)-1,3-oxathiol-2-yl)guanidine with hydrochloric acid. The reaction is carried out in an acidic medium, and the yield is typically around 80-85%. The specific synthesis method and conditions may vary depending on the laboratory techniques used.

What industries use 1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride (CAS: 84545-70-0)?

1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride is primarily used in the pharmaceutical and chemical industries. It is an intermediate in the synthesis of various pharmaceutical compounds and is also used in the development of sensors and materials for electronic applications.

What precautions should be taken when handling 1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride (CAS: 84545-70-0)?

When handling 1-(5-(Chloromethyl)-1,3-oxathiol-2-yl)guanidine hydrochloride, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate spill kits, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

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