Description

3-Nitrobenzoyl Isothiocyanate is a specialized organic building block characterized by its reactive isothiocyanate and electron-withdrawing nitro functional groups. This compound is highly valued for its role as a key intermediate in the synthesis of heterocyclic compounds and functionalized benzamides. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel molecular architectures.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of potential drug candidates, particularly those containing thiazole, thiourea, or benzamide pharmacophores.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and plant growth regulators.
• Chemical Research Reagent: Serves as a versatile electrophile in organic synthesis for introducing the 3-nitrobenzoyl moiety via reactions with amines and alcohols.
• Material Science: Employed in the development of specialty polymers, ligands for metal complexes, and advanced organic frameworks.
• Bioconjugation Chemistry: Useful for modifying proteins, peptides, or other biomolecules due to the reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	3-Nitrobenzoyl Isothiocyanate
CAS No.	78225-78-2
Molecular Formula	C8H4N2O3S
Molecular Weight	208.19 g/mol
Synonyms	3-Nitrobenzoyl isothiocyanate; m-Nitrobenzoyl isothiocyanate; Isothiocyanic acid, 3-nitrobenzoyl ester; Benzoyl isothiocyanate, 3-nitro-; (3-Nitrobenzoyl)isothiocyanate; 3-Nitrobenzoyl mustard oil; NSC 163081
EINECS	Contact for details

Quality Control

Our 3-Nitrobenzoyl Isothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your research and quality assurance requirements.

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). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details

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