Description

[(7-Chloro-4-Nitro-2,1,3-Benzoxadiazol-5-Yl)Thio]Acetic Acid is a specialized heterocyclic building block and derivatization reagent of significant interest in advanced chemical synthesis. Its core value lies in its reactive thioacetic acid moiety and the electron-deficient benzoxadiazole core, making it a versatile intermediate for constructing complex molecular architectures. This compound is primarily needed by research institutions and industrial R&D departments focused on pharmaceuticals, agrochemicals, and materials science, where it serves as a key precursor for fluorescent probes, active pharmaceutical ingredients (APIs), and functional polymers.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the synthesis of novel drug candidates, particularly those targeting specific enzymes or receptors.
• Fluorescent Labeling Reagent: Used for derivatizing biomolecules (e.g., thiols, amines) to create highly sensitive fluorescent probes for bioanalytical and diagnostic applications.
• Agrochemical Synthesis: Acts as a key intermediate in the development of new herbicides, fungicides, or insecticides with enhanced activity.
• Polymer Chemistry: Incorporated into polymer backbones or as a functional end-group to impart specific chemical or photophysical properties to advanced materials.
• Chemical Biology Research: Utilized in activity-based protein profiling (ABPP) and other chemoproteomic studies to investigate enzyme function.
• Organic Synthesis Building Block: Employed in cross-coupling reactions, nucleophilic substitutions, and other transformations to create complex heterocyclic systems.

Basic Information

Product Name	[(7-Chloro-4-Nitro-2,1,3-Benzoxadiazol-5-Yl)Thio]Acetic Acid
CAS No.	442531-32-0
Molecular Formula	C8H4ClN3O5S
Molecular Weight	289.65 g/mol
Synonyms	2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid; 5-(Carboxymethylthio)-7-chloro-4-nitro-2,1,3-benzoxadiazole; NBD-Cl-Thioacetic Acid; S-(7-Chloro-4-nitrobenzo-2-oxa-1,3-diazol-5-yl)thioacetic acid; 7-Chloro-4-nitro-2,1,3-benzoxadiazole-5-thioacetic acid; 4-Nitro-7-chloro-2,1,3-benzoxadiazole-5-thioacetic acid; NBD-Cl-TA; Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our production of [(7-Chloro-4-Nitro-2,1,3-Benzoxadiazol-5-Yl)Thio]Acetic Acid adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Each lot is analyzed via HPLC, NMR, and mass spectrometry to confirm identity and potency. Certificates of Analysis (COA) detailing purity, related substances, and other critical parameters are provided with every shipment. We operate under a quality management system and can supply material suitable for research and development under cGMP guidelines upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is light-sensitive (store away from light) and easily oxidized (store under inert atmosphere); therefore, containers should be flushed with an inert gas (e.g., nitrogen or argon) after opening and kept sealed when not in use. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.