2-Chloronicotinic Acid Methyl Ester - ≥98%(GC) , CAS No.40134-18-7

CAS: 40134-18-7 Cat. No.: M158731 Formula: C₇H₆ClNO₂ Peso molecolare: 171.58 Beilstein Registry Number: 22(5)2,174 Numero EC: 254-805-9

GRADE & PURITY ≥98%(GC)

Synonyms

2-Chloronicotinic Acid Methyl Ester | 2-Chloro-nicotinic acid methyl ester | FT-0639613 | methyl 2-chloropyridin-3-carboxylate | PB12739 | 2-chloro-pyridine-3-carboxylic acid methyl ester | AM20051154 | methyl chloronicotinate | InChI=1/C7H6ClNO2/c1-11-7(

Storage

Room temperature

Shipped In

Normal

Panoramica

A useful biochemical for proteomics research.

Specifications

Sinonimi

2-Chloronicotinic Acid Methyl Ester | 2-Chloro-nicotinic acid methyl ester | FT-0639613 | methyl 2-chloropyridin-3-carboxylate | PB12739 | 2-chloro-pyridine-3-carboxylic acid methyl ester | AM20051154 | methyl chloronicotinate | InChI=1/C7H6ClNO2/c1-11-7(

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488191552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191552
• Sorrisi canonici: COC(=O)C1=C(N=CC=C1)Cl
• IUPAC Name: methyl 2-chloropyridine-3-carboxylate
• InChIKey: MYGAJZBZLONIBZ-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
• Isomeri SMILES: COC(=O)C1=C(N=CC=C1)Cl
• WGK Germania: 3
• Peso molecolare: 171.58
• Beilstein: 22(5)2,174
• Reaxy-Rn: 122129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122129&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: 2-halopyridines Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.54
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 70 °C
• Peso molecolare: 171.580 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.009 Da
• Monoisotopic Mass: 171.009 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40134-18-7, the molecular formula is C7H6ClNO2, and the molecular weight is 171.58 g/mol. InChIKey MYGAJZBZLONIBZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.