Methyl 2,5-Dichloronicotinate - ≥97% , CAS No.67754-03-4

CAS: 67754-03-4 Cat. No.: M404656 Summenformel: C₇H₅Cl₂NO₂ Molekulargewicht: 206.02 EG-Nummer: 811-114-2

GRADE & PURITY ≥97%

Synonyms

DTXSID40377400 | SY051126 | BB 0260046 | AB16809 | FT-0647242 | STK503438 | methyl 2,5-dichloropyridine-3-carboxylate | AMY10128 | 2,5-Dichloronicotinic Acid Methyl Ester | 2,5-DICHLORO-NICOTINIC ACID METHYL ESTER | 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO

Storage

Room temperature

Specifications

Synonyme

DTXSID40377400 | SY051126 | BB 0260046 | AB16809 | FT-0647242 | STK503438 | methyl 2,5-dichloropyridine-3-carboxylate | AMY10128 | 2,5-Dichloronicotinic Acid Methyl Ester | 2,5-DICHLORO-NICOTINIC ACID METHYL ESTER | 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488193391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193391

Kanonisches Lächeln

COC(=O)C1=C(N=CC(=C1)Cl)Cl

IUPAC Name

methyl 2,5-dichloropyridine-3-carboxylate

InChIKey

CNPFXYWTMBTSSI-UHFFFAOYSA-N

INCHI

1S/C7H5Cl2NO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3

Isomere SMILES

COC(=O)C1=C(N=CC(=C1)Cl)Cl

Molekulargewicht

206.02

Reaxy-Rn

388926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388926&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 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 - Polyhalopyridine - 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 44 °C
• Molekulargewicht: 206.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.97 Da
• Monoisotopic Mass: 204.97 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 67754-03-4, the molecular formula is C7H5Cl2NO2, and the molecular weight is 206.02 g/mol. InChIKey CNPFXYWTMBTSSI-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.