Description

Benzoic Acid, 2-Isothiocyanato-5-Nitro- (9Ci) is a specialized nitro-substituted benzoic acid derivative containing a reactive isothiocyanate functional group. This compound is a valuable synthetic intermediate and building block in advanced organic chemistry and pharmaceutical research. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for the synthesis of novel heterocyclic compounds and active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: Key building block for synthesizing novel drug candidates, particularly those with potential biological activity.
• Agrochemical Research: Used in the development of new pesticides and herbicides due to its reactive isothiocyanate moiety.
• Chemical Synthesis: Serves as a versatile precursor for creating complex heterocyclic structures, such as benzothiazoles and related fused ring systems.
• Bioconjugation & Labeling: The isothiocyanate group can react with amines, making it useful for labeling proteins, peptides, and other biomolecules in research settings.
• Material Science Research: Potential monomer or cross-linking agent in the development of specialized polymers and functional materials.

Basic Information

Product Name	Benzoic Acid, 2-Isothiocyanato-5-Nitro- (9Ci)
CAS No.	392312-73-1
Molecular Formula	C8H4N2O4S
Molecular Weight	224.19 g/mol
Synonyms	2-Isothiocyanato-5-nitrobenzoic acid; 5-Nitro-2-isothiocyanatobenzoic acid; Benzoic acid, 5-nitro-2-isothiocyanato-; 2-Isothiocyanato-5-nitro-benzoic acid; 2-Isothiocyanato-5-nitrobenzoic acid (9CI); 392312-73-1; 5-Nitro-2-isothiocyanato-benzoic acid
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 2-Isothiocyanato-5-Nitro- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and development. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay purity and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to prevent moisture absorption, which may affect stability and reactivity. Keep away from incompatible materials such as strong bases, amines, and oxidizing agents.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Melting Point	Contact for details
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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