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N-(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide

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Identification
Molecular formula
C9H6ClNO3S
CAS number
57601-23-9
IUPAC name
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
State
State

The compound is typically a solid at room temperature. It is stable under normal conditions and should be stored in a cool, dry place.

Melting point (Celsius)
205.00
Melting point (Kelvin)
478.20
Boiling point (Celsius)
277.40
Boiling point (Kelvin)
550.50
General information
Molecular weight
257.67g/mol
Molar mass
257.6870g/mol
Density
1.4518g/cm3
Appearence

The compound appears as a crystalline solid. It is typically characterized by a light yellow to off-white color and is generally in the form of a powder.

Comment on solubility

Solubility of 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid

The solubility of 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid can be quite intriguing, particularly due to its unique structure. The presence of functional groups significantly influences its solubility in various solvents.

Factors Influencing Solubility

  • Polar Nature: Being a carboxylic acid, it exhibits polar characteristics, which generally enhance solubility in polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds can increase solubility in aqueous solutions.
  • Chlorine Substitution: The electronegative chlorine atom can affect the overall polarity and hydrophilicity of the compound.

In general, carboxylic acids like this compound tend to be soluble in water and organic solvents due to their polar functional groups. However, the complex structure of 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid may also lead to variation in solubility depending on the pH and the presence of other ions in the solution.

Expected Solubility Characteristics

  • Likely soluble in water due to its polar carboxylic acid group.
  • Should show good solubility in other polar organic solvents.
  • Less soluble in non-polar solvents due to its structural complexity.

In conclusion, the solubility of 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid reflects the interplay of its functional groups, molecular interactions, and the solvent environment, making it an interesting study in chemical properties.

Interesting facts

Interesting Facts about 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid

2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid is a compound that stands out in both its structure and its potential applications. Here are some intriguing insights:

  • Pharmacological Significance: This compound belongs to a class known for their diverse biological activities. Benzothiazoles, particularly, are often studied for their roles in medicinal chemistry due to their ability to interact with various biological targets.
  • Antimicrobial Properties: The presence of the chloro group in the structure is known to enhance the antimicrobial properties of compounds. Research indicates that similar compounds exhibit potent activity against a range of pathogens, making them candidates for antibiotic development.
  • Environmental Applications: Compounds like this one have been explored for use in environmental remediation processes. Their chemical properties allow for modifications that could lead to effective agents in breaking down pollutants.
  • Structure-Activity Relationship (SAR): Scientists are fascinated by SAR studies concerning benzothiazole derivatives. Changes to functional groups, such as the chloro or carboxylic acid (–COOH) moieties, can significantly influence biological activity, making it a rich area for ongoing research.
  • Synthetic Versatility: The synthetic pathways leading to the creation of this compound are diverse. It can be derived from several precursors, making it an excellent candidate for synthesis experiments in organic chemistry labs.

In conclusion, 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid is not just another chemical entity but a gateway into a myriad of scientific inquiries. Its intriguing properties and potential applications continue to inspire researchers across multiple disciplines.

Synonyms
BENAZOLIN
3813-05-6
Eunasin
Herbitox
Legumex Extra
Springclene
Benasalox
Chamilox
Galtak
Tillox
Asset
Benazoline [ISO-French]
RB02FMB0BR
Benazolin [ANSI:BSI:ISO]
BENAZOLIN [ISO]
EINECS 223-297-0
UNII-RB02FMB0BR
NSC-521058
BA 7688
BRN 0749788
4-Chloro-2-oxo-3-benzothiazolineacetic acid
DTXSID2041620
CHEBI:81951
Acetic acid, (4-chloro-2-oxobenzothiazol-3-yl)-
BTS-7693
Acetic acid, (4-chloro-2-oxobenzothiazolin-3-yl)-
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
Benazoline (ISO-French)
3(2H)-benzothiazolacetic acid, 4-chloro-2-oxo-
Benazolin (ANSI:BSI:ISO)
DTXCID0021620
223-297-0
hyjsgoxicxyzgs-uhfffaoysa-n
Metizolin
Cornox CWK
Benazalox
Benopan
Bensecal
Cresopur
Galipan
Herbazolin
Benzar
Leymin
Ben-cornox
Tri-cornox
Ley-Cornox
Tri-cornox special
Grassland weedkiller
3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-
BEN-30
3-Benzothiazolineacetic acid, 4-chloro-2-oxo-
4-Chloro-2-oxo-3(2H)-benzothiazoleacetic acid
RD 7693
EX 10781
4-Chloro-2-oxobenzothiazolin-3-ylacetic acid
NSC 521058
Benazolin 100 microg/mL in Methanol
4-Chloro-2,3-dihydro-2-oxo-1,3-benzothiazol-3-ylacetic acid
2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid
SCHEMBL54066
NSC521058
AKOS005206894
4-Chloro-2-oxobenzothiazol-3-ylacetic acid
NS00000090
Benazolin, PESTANAL(R), analytical standard
C18775
Q816692
(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid #