87932-49-8

Basic information

• Product Name: Nsc21187
• Synonyms: Nsc21187;3-chloro-4,5-dihydroxybenzoic acid
• CAS NO: 87932-49-8
• Molecular Formula: C₇H₅ClO₄
• Molecular Weight: 188.5652
• Mol File: 87932-49-8.mol

Chemical Properties

• Boiling Point: 391.7°Cat760mmHg
• Flash Point: 190.7°C
• Appearance: /
• Density: 1.702g/cm³
• Vapor Pressure: 7.75E-07mmHg at 25°C
• Refractive Index: 1.679
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.08±0.10(Predicted)
• CAS DataBase Reference: Nsc21187(CAS DataBase Reference)
• NIST Chemistry Reference: Nsc21187(87932-49-8)
• EPA Substance Registry System: Nsc21187(87932-49-8)

Safety Data

• Hazardous Substances Data: 87932-49-8(Hazardous Substances Data)

Usage

Uses

Used in Plastics and Vinyl Industry:
Nsc21187 is used as a plasticizer for [increasing the flexibility and durability of vinyl products and PVC]. Its high thermal stability and resistance to degradation contribute to the improved performance and longevity of these materials.
However, due to its potential environmental and health hazards, including toxic effects and the possibility of bioaccumulation in organisms, there are significant concerns about the long-term impact of Nsc21187 on human health and the environment. This has led to regulations on its use and handling in many countries to mitigate these risks.

InChI:InChI=1/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)

Upstream product

• 62936-23-6 3-chloro-4-hydroxy-5-methoxybenzoic acid 

Downstream Products

• 1309825-70-4 4-(3-chloro-5-ethoxy-4-isopropoxybenzamido)benzoic acid 
• 1272528-48-9 methyl 3-chloro-5-isopropoxy-4-methoxybenzoate 
• 1272528-49-0 3-chloro-5-isopropoxy-4-methoxybenzoic acid 
• 1272527-57-7 4-(3-chloro-5-isopropoxy-4-methoxybenzamido)benzoic acid 
• 1272527-67-9 4-(3-chloro-5-(cyclobutoxy)-4-ethoxybenzamido)benzoic acid 
• 1272527-59-9 4-(3-chloro-4-ethoxy-5-isopropoxybenzamido)benzoic acid 
• 1272527-27-1 4-(3,4-di-tert-butoxy-5-chlorobenzamido)-2-methylbenzoic acid 
• 1272527-29-3 4-(3-chloro-4,5-diisopropoxybenzamido)-2-methylbenzoic acid 

Relevant articles and documents

Design and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonist

A ligand-based virtual screening exercise examining likely bioactive conformations of AM 580 (2) and AGN 193836 (3) was used to identify the novel, less lipophilic RARα agonist 4-(3,5-dichloro-4-ethoxybenzamido)benzoic acid 5, which has good selectivity over the RARβ and RARγ receptors. Analysis of the medicinal chemistry parameters of the 3,5-substituents of derivatives of template 5 enabled us to design a class of drug-like molecules with lower intrinsic clearance and higher oral bioavailability which led to the novel RARα agonist 4-(3-chloro-4-ethoxy-5-isopropoxybenzamido)-2-methylbenzoic acid 56 that has high RARα potency and excellent selectivity versus RARβ (2 orders of magnitude) and RARγ (4 orders of magnitude) at both the human and mouse RAR receptors with improved drug-like properties. This RARα specific agonist 56 has high oral bioavailability (>80%) in both mice and dogs with a good PK profile and was shown to be inactive in cytotoxicity and genotoxicity screens.

Therapeutic Aryl-Amido-Aryl Compounds and Their Use

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as “AAA compounds”), which, inter alia, a

THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as "AAA compounds"), which, inter alia, a