(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid

Basic Information

View in Editor

CAS Number

3813-05-6

Molecular Formula

C9H6ClNO3S

Molecular Weight

243.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

192-196 ºC

Flash Point

100 °C

Refractive Index

1.6300 (estimate)

SMILES

View in Editor

C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O

InChI

InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)

InChIKey

HYJSGOXICXYZGS-UHFFFAOYSA-N

LogP

1.8010000000000004

Topological Polar Surface Area

59.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

299

Synonyms & References

English

Eunasin
Asset
CHEBI:81951
EX10781
3(2H)-benzothiazolacetic acid, 4-chloro-2-oxo-
DTXSID2041620
Ben-cornox
SCHEMBL54066
3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-
Galipan
Leymin
EX 10781
Acetic acid, (4-chloro-2-oxobenzothiazol-3-yl)-
Benazalox
BTS-7693
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
BRN 0749788
Tillox
Benazolin, PESTANAL(R), analytical standard
Grassland weedkiller
EX-10781
Benasalox
3-Benzothiazolineacetic acid, 4-chloro-2-oxo-
Galtak
Benazolin 100 microg/mL in Methanol
RD 7693
Legumex Extra
(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
C18775
Metizolin
Herbazolin

MDL Number

MFCD00057102

Customs Code

2934999090

FAQ

What is (4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS: 3813-05-6)?

(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is a chemical compound with the CAS number 3813-05-6. It is a white to off-white solid with a molecular formula of C9H5ClN3O3S. This compound exhibits properties such as solubility in water and organic solvents, and it has a distinctive odor.

What are the main uses of (4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS: 3813-05-6)?

(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in chemical research and as a reagent in organic synthesis.

Is (4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS: 3813-05-6) safe?

(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid is generally safe when handled with proper precautions. However, it may cause irritation to the eyes, skin, and respiratory system. It is important to use appropriate protective equipment and follow safety guidelines to minimize risks.

How should (4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (CAS: 3813-05-6) be stored?

(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture and contamination. The storage temperature should not exceed 25°C to ensure stability and safety of the compound.