2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID is a chlorinated derivative of 1,3-benzothiazole-6-carboxylic acid, a chemical compound with the molecular formula C9H5ClNO2S. It is characterized by its unique structure and properties, making it a valuable intermediate in organic synthesis and medicinal chemistry for the creation of various pharmaceuticals and agrochemicals. Additionally, it has been studied for its potential antiviral and antibacterial properties.

3855-95-6

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Basic information
1. Product Name: 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
2. Synonyms: 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID;2-CHLORO-6-BENZOTHIAZOLECARBOXYLIC ACID;6-Benzothiazolecarboxylicacid,2-chloro-(7CI,8CI,9CI);2-chlorobenzo[d]thiazole-6-carboxylic acid;2-Chloro-benzothiazole-6-carboxylic acid;6-Carboxy-2-chloro-1,3-benzothiazole
3. CAS NO:3855-95-6
4. Molecular Formula: C₈H₄ClNO₂S
5. Molecular Weight: 213.64086
6. EINECS: 201-215-5
7. Product Categories: BENZOTHIAZOLE
8. Mol File: 3855-95-6.mol
Chemical Properties
1. Melting Point: 220-221
2. Boiling Point: 398.2 °C at 760 mmHg
3. Flash Point: 194.7 °C
4. Appearance: /
5. Density: 1.634
6. Vapor Pressure: 4.67E-07mmHg at 25°C
7. Refractive Index: 1.733
8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
9. Solubility: N/A
10. PKA: 3.56±0.30(Predicted)
11. CAS DataBase Reference: 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID(CAS DataBase Reference)
12. NIST Chemistry Reference: 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID(3855-95-6)
13. EPA Substance Registry System: 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID(3855-95-6)
Safety Data
1. Hazard Codes: Xi,Xn
2. Statements: 22
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: IRRITANT
7. PackingGroup: N/A
8. Hazardous Substances Data: 3855-95-6(Hazardous Substances Data)

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Uses

Used in Organic Synthesis:
2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID is used as a building block in organic synthesis for the creation of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable intermediate in the development of new compounds with biological activity.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID is utilized as a key component in the synthesis of pharmaceuticals. Its presence in the molecular structure of these compounds contributes to their therapeutic properties and effectiveness in treating various diseases and conditions.
Used in Antiviral Applications:
2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID has been studied for its potential antiviral properties. Its ability to inhibit viral replication and reduce the severity of viral infections makes it a promising candidate for the development of new antiviral drugs.
Used in Antibacterial Applications:
Similarly, 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID has also been investigated for its potential antibacterial properties. Its ability to target and inhibit the growth of bacteria makes it a valuable component in the development of new antibiotics to combat bacterial infections.
Used in Pharmaceutical Industry:
2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID is used as a key intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure and properties contribute to the development of new compounds with enhanced therapeutic effects and improved pharmacological profiles.
Used in Agrochemical Industry:
In the agrochemical industry, 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID is utilized as a building block for the synthesis of various agrochemicals, such as pesticides and herbicides. Its presence in these compounds helps to improve their effectiveness in controlling pests and weeds, thereby contributing to increased crop yields and agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 3855-95-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,8,5 and 5 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 3855-95:
(6*3)+(5*8)+(4*5)+(3*5)+(2*9)+(1*5)=116
116 % 10 = 6
So 3855-95-6 is a valid CAS Registry Number.

InChI:InChI=1/C8H4ClNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)

3855-95-6Upstream product

3855-95-6Downstream Products

1085748-81-7 C₄₈H₄₄N₁₀O₄S₂

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