Description

[4-[Bis(2-Chloroethyl)Amino]Phenyl] 3-Nitrobenzoate is a specialized nitrogen mustard derivative ester, a compound of significant interest in advanced chemical synthesis and pharmaceutical research. Its molecular architecture, combining a phenyl nitrogen mustard moiety with a nitrobenzoate ester, makes it a valuable intermediate for developing targeted therapeutic agents and novel chemical entities. This high-purity compound is primarily utilized by research institutions and pharmaceutical developers focused on oncology research, prodrug development, and the synthesis of complex bioactive molecules.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the research and development of nitrogen mustard-based chemotherapeutic agents and targeted cancer therapies.
• Prodrug Synthesis: Used in the design and synthesis of prodrug systems where controlled release of an active alkylating agent is required.
• Bioconjugation & Linker Chemistry: Acts as a functionalized linker in antibody-drug conjugates (ADCs) and other bioconjugation strategies due to its reactive chloroethyl groups.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies to explore new analogs with potential biological activity.
• Chemical Biology Probes: Utilized in the development of molecular probes for studying DNA alkylation and cellular mechanisms.
• Advanced Organic Synthesis: Functions as a versatile intermediate for synthesizing complex heterocycles and other nitrogen-containing compounds.

Basic Information

Product Name	[4-[Bis(2-Chloroethyl)Amino]Phenyl] 3-Nitrobenzoate
CAS No.	22953-58-8
Molecular Formula	C19H20Cl2N2O4
Molecular Weight	411.28 g/mol
Synonyms	4-[Bis(2-chloroethyl)amino]phenyl 3-nitrobenzoate; 3-Nitrobenzoic Acid 4-[Bis(2-chloroethyl)amino]phenyl Ester; Phenyl 3-Nitrobenzoate Nitrogen Mustard Derivative; 4-[N,N-Bis(2-chloroethyl)amino]phenyl m-Nitrobenzoate; Mustard Nitrobenzoate Ester; NSC 176323; Benzoic acid, 3-nitro-, 4-[bis(2-chloroethyl)amino]phenyl ester
EINECS	Contact for details

Quality Control

Our [4-[Bis(2-Chloroethyl)Amino]Phenyl] 3-Nitrobenzoate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for research applications. Each lot undergoes comprehensive analytical characterization, including HPLC for purity, NMR for structural confirmation, and residual solvent analysis. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes. We adhere to cGMP principles for the production of advanced pharmaceutical intermediates.

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). Due to its light-sensitive and easily oxidized nature, it is recommended to store the material under an inert atmosphere (e.g., nitrogen or argon) for long-term stability. Keep away from heat, open flames, and incompatible materials.

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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