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Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate is a pyridinecarboxylate chemical compound with the molecular formula C8H6ClNO4 and a molecular weight of 209.59 g/mol. It is a pale yellow solid at room temperature, known for its high reactivity and is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals.

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  • 171876-22-5 Structure
  • Basic information

    1. Product Name: Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate
    2. Synonyms: Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate;3-Pyridinecarboxylic acid, 6-chloro-5-nitro-, ethyl ester;6-Chloro-5-nitro-3-pyridinecarboxylic acid ethyl ester
    3. CAS NO:171876-22-5
    4. Molecular Formula: C8H7ClN2O4
    5. Molecular Weight: 230.606
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 171876-22-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 330 °C at 760 mmHg
    3. Flash Point: 153.4 °C
    4. Appearance: /
    5. Density: 1.433
    6. Vapor Pressure: 0.000171mmHg at 25°C
    7. Refractive Index: 1.562
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate(171876-22-5)
    12. EPA Substance Registry System: Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate(171876-22-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 171876-22-5(Hazardous Substances Data)

171876-22-5 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its reactivity allows for the creation of more complex organic molecules, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate serves as a crucial building block for the synthesis of agrochemicals. Its incorporation into these compounds can enhance their effectiveness in crop protection and pest management, thereby supporting agricultural productivity.
It is important to handle Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate with care due to its potential health hazards if not properly managed.

Check Digit Verification of cas no

The CAS Registry Mumber 171876-22-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,1,8,7 and 6 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 171876-22:
(8*1)+(7*7)+(6*1)+(5*8)+(4*7)+(3*6)+(2*2)+(1*2)=155
155 % 10 = 5
So 171876-22-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3

171876-22-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 6-chloro-5-nitropyridine-3-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 6-chloro-5-nitro-3-pyridinecarboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:171876-22-5 SDS

171876-22-5Relevant articles and documents

COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS

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Paragraph 0164; 0180, (2020/06/19)

The present disclosure provides, inter alia, a compound having the structure (1). Also provided are compositions containing a pharmaceutically acceptable carrier and one or more compounds according to the present disclosure. Further provided are methods f

Novel arylalkylamine compounds exhibits potent selective antiparasitic activity against Leishmania major

Iniguez, Eva A.,Perez, Andrea,Maldonado, Rosa A.,Skouta, Rachid

supporting information, p. 5315 - 5320 (2015/11/09)

Leishmania major (L. major) is a protozoan parasite causal agent of Leishmaniasis. It is estimated that 12 million people are currently infected and around 2 million infections occur each year. Current treatments suffer of high toxicity for the patient, low efficacy toward the parasite, high cost, and are losing effectiveness due to parasite resistance. Discovering novel small molecule with high specificity/selectivity and drug-like properties for anti-leishmanial activity remains a significant challenge. The purpose of this study is to communicate the design and synthesis strategies of novel chemical compounds based of the arylalkylamine scaffold with selective toxicity towards L. major and less toxicity to human cells in vitro. Here, we have developed a structure activity relationship (SAR) study of arylalkylamine AA1 in order to study their anti-parasitic effect in L. major. Overall, 27 arylalkylamine compounds derived from AA1 were synthesized and purified by silica gel column chromatography. The purity of each analog was confirmed by spectroscopic methods (1H, 13C NMR and LC/MS). Among these analogs, the compound AA9 showed the best toxic activity on L. major (LD50 = 3.34 μM), which represents a 9 fold higher lethality as compared with its parental AA1 (Fer-1) compound (LD50 = 28.75 μM). In addition, AA9 showed no significant toxicity at 80 μM on U20S Human Osteoblasts, Raw 264.7 Macrophages or intraperitoneal macrophages. In summary, our combined SAR study and biological evaluation data of AA1-AA27 compounds allow the identification of novel arylalkylamine compound AA9 that exhibits potent cytotoxicity against L. major promastigote with minimum toxic effect on human cells.

Ferrostatins inhibit oxidative lipid damage and cell death in diverse disease models

Skouta, Rachid,Dixon, Scott J.,Wang, Jianlin,Dunn, Denise E.,Orman, Marina,Shimada, Kenichi,Rosenberg, Paul A.,Lo, Donald C.,Weinberg, Joel M.,Linkermann, Andreas,Stockwell, Brent R.

supporting information, p. 4551 - 4556 (2014/04/17)

Ferrostatin-1 (Fer-1) inhibits ferroptosis, a form of regulated, oxidative, nonapoptotic cell death. We found that Fer-1 inhibited cell death in cellular models of Huntington's disease (HD), periventricular leukomalacia (PVL), and kidney dysfunction; Fer-1 inhibited lipid peroxidation, but not mitochondrial reactive oxygen species formation or lysosomal membrane permeability. We developed a mechanistic model to explain the activity of Fer-1, which guided the development of ferrostatins with improved properties. These studies suggest numerous therapeutic uses for ferrostatins, and that lipid peroxidation mediates diverse disease phenotypes.

COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS

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Page/Page column 167, (2013/10/22)

The present invention provides, inter alia, a compound having the structure: (Formula (I). Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for treating or ameliorating the effects of an excitotoxic disorder in a subject, methods of modulating ferroptosis in a subject, methods of reducing reactive oxygen species (ROS) in a cell, and methods for treating or ameliorating the effects of a neurodegenerative disease.

Viral polymerase inhibitors

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Page 22, (2010/02/06)

An isomer, enantiomer, diastereoisomer, or tautomer of a compound, represented by formula I: wherein R1 is selected from: H, haloalkyl, (C1-6)alkyl, (C2-6)alkenyl, (C3-7)cycloalkyl, (C2-6)alkynyl, (C5-7)cycloalkenyl, 6 or 10-membered aryl, Het all optionally substituted; R2 is selected from (C1-6)alkyl, (C3-7)cycloalkyl, (C6-10)bicycloalkyl, 6- or 10-membered aryl, or Het all optionally substituted; B is N or CR5, wherein R5 is H, halogen, haloalkyl, (C1-6)alkyl, (C3-7)cycloalkyl or (C1-6)alkyl-(C3-7)cycloalkyl; X is N or CR5; D is N or CR5; each of Y1 and Y2 is independently O or S; Z is O, N, or NRz wherein Rz is H, (C1-6)alkyl, (C3-7)cycloalkyl or (C1-6)alkyl-(C3-7)cycloalkyl; R3 and R4 are each independently H, (C1-6)alkyl, first (C3-7)cycloalkyl or 6- or 10-membered aryl, Het (C1-6)alkyl-6- or 10-membered aryl, (C1-6)alkyl-Het; or each R3 and R4 are independently covalently bonded together to form second (C3-7)cycloalkyl, or heterocycle, all optionally substituted; or when Z is N, either R3 or R4 are independently covalently bonded thereto to form a nitrogen-containing heterocycle; R7 is H, (C1-6 alkyl), (C3-7)cycloalkyl or (C1-6)alkyl-(C3-7)cycloalkyl; or R7 is covalently bonded to either of R3 or R4 to form a heterocycle; A is (C1-6) alkyl-CONHR8 wherein R8 is-6- or 10-membered aryl, or Het; or A is a 6- or 10-membered aryl, or Het said aryl or Het being optionally substituted; or a salt or a derivative thereof; such compounds being potent inhibitors of HCV NS5B polymerase.

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