methyl 3-chloronaphthalene-1-carboxylate - ≥97% , CAS No.16650-62-7

CAS: 16650-62-7 Cat. No.: M630157 Molecular Weight: 220.65 PubChem CID: 58678725

GRADE & PURITY ≥97%

Synonyms

methyl 3-chloronaphthalene-1-carboxylate | 16650-62-7 | SCHEMBL13576763 | MFCD18413057 | Methyl3-chloronaphthalene-1-carboxylate | E73641

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

methyl 3-chloronaphthalene-1-carboxylate | 16650-62-7 | SCHEMBL13576763 | MFCD18413057 | Methyl3-chloronaphthalene-1-carboxylate | E73641

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC(=CC2=CC=CC=C21)Cl
• IUPAC Name: methyl 3-chloronaphthalene-1-carboxylate
• InChIKey: TUNDKHCVSKYWJN-UHFFFAOYSA-N
• INCHI: 1S/C12H9ClO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3
• Isomeric SMILES: COC(=O)C1=CC(=CC2=CC=CC=C21)Cl
• PubChem CID: 58678725
• Molecular Weight: 220.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids and derivatives
• Alternative Parents: Chloronaphthalenes 3-halobenzoic acids and derivatives Aryl chlorides Methyl esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid or derivatives - Chloronaphthalene - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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