6-Chloro-1,3-benzoxazole-2(3H)-thione

Basic Information

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CAS Number

22876-20-6

Molecular Formula

C7H4ClNOS

Molecular Weight

185.64 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

229-232 ºC

Boiling Point

288.898 ℃ at 760 mmHg

Refractive Index

1.6000 (estimate)

SMILES

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C1=CC2=C(C=C1Cl)OC(=S)N2

InChI

InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)

InChIKey

HAASPZUBSZGCKU-UHFFFAOYSA-N

LogP

3.14379

Topological Polar Surface Area

28.93 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

187

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Mercapto-6-chlorobenzoxazole
EINECS 245-282-8
A816396
BB 0240851
AKOS000321423
CS-16766
UNII-MH9X2VT6FK
6-Chloro-benzooxazole-2-thiol
BDBM50570903
AB07270
HAASPZUBSZGCKU-UHFFFAOYSA-N
6-Chlorobenzo[d]oxazole-2-thiol
NS00027284
W-110553
2(3H)-Benzoxazolethione, 6-chloro-
SCHEMBL779231
AC-11459
CHEMBL4859482
6-Chlorobenzoxazole-2(3H)-thione
AKOS000121585
6-Chloro-2-benzoxazolethiol
6-Chloro-3H-benzoxazole-2-thione
W10408
6-Chloro-2-mercaptobenzoxazole
6-CHLORO-2(3H)-BENZOXAZOLETHIONE
EN300-17624
DTXSID20177420
22876-20-6
HMS1787L13
6-Chlorobenzo[d]oxazole-2(3H)-thione
6-chloro-1,3-benzoxazole-2-thiol

MDL Number

MFCD01456482

Customs Code

2934999090

FAQ

What is 6-Chloro-1,3-benzoxazole-2(3H)-thione (CAS: 22876-20-6)?

6-Chloro-1,3-benzoxazole-2(3H)-thione is an organic compound with the CAS number 22876-20-6. It has a molecular formula of C8H5ClNO2S and is characterized by its thione group. This compound is used in pharmaceuticals and as a research tool due to its unique chemical properties.

What are the main uses of 6-Chloro-1,3-benzoxazole-2(3H)-thione (CAS: 22876-20-6)?

6-Chloro-1,3-benzoxazole-2(3H)-thione is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It is also used in research as a model compound and for the development of new chemical materials.

Is 6-Chloro-1,3-benzoxazole-2(3H)-thione (CAS: 22876-20-6) safe?

6-Chloro-1,3-benzoxazole-2(3H)-thione can be handled safely with appropriate precautions. It is classified as a moderately hazardous material. Users should adhere to standard safety protocols, including proper ventilation, protective gloves, and goggles to prevent skin and eye contact. Avoid inhalation of dust or fumes.

How should 6-Chloro-1,3-benzoxazole-2(3H)-thione (CAS: 22876-20-6) be stored?

6-Chloro-1,3-benzoxazole-2(3H)-thione should be stored in a cool, dry, and well-ventilated area. Keep away from direct sunlight and heat sources. Store in a tightly sealed container to prevent moisture and light exposure. Maintain a temperature between 0°C and 25°C and avoid extremes to ensure the stability of the compound.