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2-Chloro-3-fluorisonicotinic acid is a chemical compound that belongs to the isonicotinic acid family. It is a derivative of isonicotinic acid with a chlorine atom and a fluorine atom attached to the third and fourth positions, respectively, of the pyridine ring. 2-CHLORO-3-FLUOROISONICOTINIC ACID possesses unique structural features that make it an attractive target for chemical modification and structure-activity relationship studies in the field of medicinal chemistry.

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  • 628691-93-0 Structure
  • Basic information

    1. Product Name: 2-CHLORO-3-FLUOROISONICOTINIC ACID
    2. Synonyms: 2-CHLORO-3-FLUOROISONICOTINIC ACID;2-CHLORO-3-FLUOROPYRIDINE-4-CARBOXYLIC ACID;2-Chloro-3-fluoropyridine-4-carboxylic acid, 4-Carboxy-2-chloro-3-fluoropyridine;2-Chloro-3-Fluoroisonicotinic Acid(WX614144)
    3. CAS NO:628691-93-0
    4. Molecular Formula: C6H3ClFNO2
    5. Molecular Weight: 175.54
    6. EINECS: -0
    7. Product Categories: Boronic Acid;Building Blocks;C5 to C6;C6 to C7;Chemical Synthesis;Fluorinated Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Heterocyclic Fluorinated Building Blocks;Other Fluorinated Heterocycles;Pyridines
    8. Mol File: 628691-93-0.mol
  • Chemical Properties

    1. Melting Point: 199 °C (dec.)
    2. Boiling Point: 389.145 °C at 760 mmHg
    3. Flash Point: 189.148 °C
    4. Appearance: /
    5. Density: 1.577 g/cm3
    6. Vapor Pressure: 0.00604mmHg at 25°C
    7. Refractive Index: 1.542
    8. Storage Temp.: Room temperature.
    9. Solubility: N/A
    10. PKA: 2.07±0.10(Predicted)
    11. CAS DataBase Reference: 2-CHLORO-3-FLUOROISONICOTINIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-CHLORO-3-FLUOROISONICOTINIC ACID(628691-93-0)
    13. EPA Substance Registry System: 2-CHLORO-3-FLUOROISONICOTINIC ACID(628691-93-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 628691-93-0(Hazardous Substances Data)

628691-93-0 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-3-fluorisonicotinic acid is used as an intermediate in the synthesis of pharmaceuticals for its potential applications in the development of biologically active molecules. Its unique structural features allow for the creation of new compounds with therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, 2-chloro-3-fluorisonicotinic acid is utilized as an intermediate in the synthesis of various agrochemicals, contributing to the development of effective pesticides and other agricultural products.
Used in Organic Chemistry Research:
2-Chloro-3-fluorisonicotinic acid serves as a valuable building block in organic chemistry, enabling researchers to explore its reactivity and potential applications in the synthesis of novel organic compounds.
Used in Medicinal Chemistry:
As a component in medicinal chemistry, 2-chloro-3-fluorisonicotinic acid is employed for structure-activity relationship studies, aiding in the design and optimization of new drug candidates with improved pharmacological properties.

Check Digit Verification of cas no

The CAS Registry Mumber 628691-93-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,2,8,6,9 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 628691-93:
(8*6)+(7*2)+(6*8)+(5*6)+(4*9)+(3*1)+(2*9)+(1*3)=200
200 % 10 = 0
So 628691-93-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2

628691-93-0 Well-known Company Product Price

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  • Alfa Aesar

  • (L20024)  2-Chloro-3-fluoropyridine-4-carboxylic acid, 95%   

  • 628691-93-0

  • 250mg

  • 494.0CNY

  • Detail
  • Alfa Aesar

  • (L20024)  2-Chloro-3-fluoropyridine-4-carboxylic acid, 95%   

  • 628691-93-0

  • 1g

  • 1537.0CNY

  • Detail
  • Aldrich

  • (660582)  2-Chloro-3-fluoropyridine-4-carboxylicacid  97%

  • 628691-93-0

  • 660582-100MG

  • 262.08CNY

  • Detail
  • Aldrich

  • (660582)  2-Chloro-3-fluoropyridine-4-carboxylicacid  97%

  • 628691-93-0

  • 660582-500MG

  • 541.71CNY

  • Detail
  • Aldrich

  • (660582)  2-Chloro-3-fluoropyridine-4-carboxylicacid  97%

  • 628691-93-0

  • 660582-1G

  • 862.29CNY

  • Detail
  • Aldrich

  • (660582)  2-Chloro-3-fluoropyridine-4-carboxylicacid  97%

  • 628691-93-0

  • 660582-5G

  • 2,999.88CNY

  • Detail

628691-93-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chloro-3-Fluoroisonicotinic Acid

1.2 Other means of identification

Product number -
Other names 2-Chloro-3-fluoroisonicotinic acid

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:628691-93-0 SDS

628691-93-0Relevant articles and documents

DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM

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Page/Page column 24-25, (2011/04/24)

The present invention is directed to diarylmethylamide derivatives represented of structural formula I which are melanin-concentrating hormone receptor antagonists, and are useful as an agent for the prevention, treatment, or remedy of various circulatory diseases, neurological diseases, metabolic diseases, reproductive system diseases, respiratory diseases, digestive diseases, and the like. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the melanin-concentrating hormone is involved. I

Morpholine type cinnamide compound

-

Page/Page column 61, (2008/06/13)

The present invention relates to a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein R1, R2, R3, and R4 are the same or different and each represent a hydrogen atom or a C1-6 alkyl group; X1 represents a C1-6 alkylene group that may be substituted; Xa represents a methoxy group or a fluorine atom; Xb represents an oxygen atom or a methylene group, provided that Xb is only an oxygen atom when Xa is a methoxy group; and Ar1 represents an aryl group, pyridinyl group, aryloxy group, or pyridinyloxy group that may have a substituent such as a halogen atom; and to use of the compound or salt as a pharmaceutical agent.

IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS

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Page 61, (2010/02/04)

A class of 8-fluoro-3-phenylimidazo[1,2-a]pyridine derivatives, substituted at the meta position of the phenyl ring by an optionally substituted aryl or heteroaryl group, or by a pyrrolidinonyl group, which is directly attached or bridged by an oxygen atom or by a -NH- or -OCH2- linkage, being selective ligands for GABAA receptors, in particular having high affinity for the α2 and/or α3 and/or α5 subunit thereof, are accordingly of benefit in the treatment and/or prevention of adverse conditions of the central nervous system, including anxiety, convulsions and cognitive disorders.

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