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73112-09-1

2-Cyanopyridine-3-carboxylic acid, also known as 2-cyano-3-pyridinecarboxylic acid, is a chemical compound with the molecular formula C7H4N2O2. It is a derivative of pyridine and is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals. 2-CYANOPYRIDINE-3-CARBOXYLIC ACID has potential applications in the field of medicinal chemistry due to its ability to regulate various biological pathways. It is also used as a precursor in the manufacture of quinolone antibacterial agents. 2-CYANOPYRIDINE-3-CARBOXYLIC ACID is considered to be of moderate toxicity and poses a potential environmental hazard, and thus, its handling and disposal should be done with care.

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  • 73112-09-1 Structure

  • Basic information

    1. Product Name: 2-CYANOPYRIDINE-3-CARBOXYLIC ACID
    2. Synonyms: 2-CYANOPYRIDINE-3-CARBOXYLIC ACID;3-Pyridinecarboxylicacid,2-cyano-(9CI);2-cyano-3-Pyridinecarboxylic acid
    3. CAS NO:73112-09-1
    4. Molecular Formula: C7H4N2O2
    5. Molecular Weight: 148.12
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICACID
    8. Mol File: 73112-09-1.mol

  • Chemical Properties

    1. Melting Point: 192-203 °C(Solv: methanol (67-56-1))
    2. Boiling Point: 396.9oC at 760 mmHg
    3. Flash Point: 193.8oC
    4. Appearance: /
    5. Density: 1.42g/cm3
    6. Vapor Pressure: 5.19E-07mmHg at 25°C
    7. Refractive Index: 1.596
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 2.41±0.10(Predicted)
    11. CAS DataBase Reference: 2-CYANOPYRIDINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-CYANOPYRIDINE-3-CARBOXYLIC ACID(73112-09-1)
    13. EPA Substance Registry System: 2-CYANOPYRIDINE-3-CARBOXYLIC ACID(73112-09-1)

  • 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: 73112-09-1(Hazardous Substances Data)

73112-09-1 Usage

Uses

Used in Pharmaceutical Industry:
2-Cyanopyridine-3-carboxylic acid is used as a building block for the synthesis of various pharmaceuticals, leveraging its ability to regulate biological pathways and contribute to the development of new drugs.
Used in Agrochemical Industry:
2-Cyanopyridine-3-carboxylic acid is used as a precursor in the manufacture of quinolone antibacterial agents, which are essential in the development of agrochemicals for controlling bacterial infections in crops.
Used in Medicinal Chemistry Research:
2-Cyanopyridine-3-carboxylic acid is used as a research compound in medicinal chemistry to explore its potential in regulating various biological pathways, which may lead to the discovery of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 73112-09-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,3,1,1 and 2 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 73112-09:
(7*7)+(6*3)+(5*1)+(4*1)+(3*2)+(2*0)+(1*9)=91
91 % 10 = 1
So 73112-09-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H4N2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3H,(H,10,11)

73112-09-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Cyanopyridine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names Pyridin-2-cyano-3-carbonsaeure

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:73112-09-1 SDS

73112-09-1Relevant articles and documents

Efficient Synthesis of Nicotinic Acid Based Pseudopeptides Bearing an Amidoxime Function

Ovdiichuk, Olga V.,Hordiyenko, Olga V.,Medviediev, Volodymyr V.,Shishkin, Oleg V.,Arrault, Axelle

, p. 2285 - 2293 (2015/08/03)

The synthesis of nicotinic acid based amino acid units bearing an amidoxime function on the pyridine ring has been developed. The starting 2-cyanonicotinic acid was efficiently coupled with methyl esters of l-α-amino acids to afford intermediate 2-cyanopyridin-3-yl-containing pseudopeptides together with the tautomeric methyl esters of (2S)-2-(7-imino-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)alkanoic acids. Regioselective pyrrolidine ring opening of these esters occurred upon hydroxylamine hydrochloride treatment, giving rise to the open-chain pyridin-3-yl 2-amidoxime pseudopeptides bearing the same structure as amidoximes obtained by direct hydroxyamination of the corresponding cyano esters.

PREPARATION AND STRUCTURAL ASSIGNMENTS OF SOME ISOMERIC 2,3-DISUBSTITUTED PYRIDINES

Spiessens, Luc I. M.,Anteunis, Marc J. O.

, p. 205 - 232 (2007/10/02)

The preparation of several isomeric 2,3-disubstituted pyridine compounds are described and their spectroscopical data given.IR and NMR spectra of quinolinimide, reported by Distefano et al., are contradicted.The electron impact mass spectra are found to be useful in the differentiation between positional isomers.

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