methyl(4-nitrophenoxy)phosphinic acid , CAS No.1832-64-0

CAS: 1832-64-0 Cat. No.: M669617 Molecular Weight: 216.11 PubChem CID: 46224543

Storage

Room temperature

Specifications

Storage

Room temperature

Product Properties

• ALogP: 0.5

Names and Identifiers

• Canonical Smiles: O=N(=O)C1=CC=C(C=C1)OP(O)(C)=O
• IUPAC Name: methyl-(4-nitrophenoxy)phosphinate
• InChIKey: VJPXTXIEAOSJBR-UHFFFAOYSA-M
• INCHI: 1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)/p-1
• Isomeric SMILES: CP(=O)([O-])OC1=CC=C(C=C1)[N+](=O)[O-]
• PubChem CID: 46224543
• Molecular Weight: 216.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenoxy compounds Nitroaromatic compounds Phosphonic acid esters Organic phosphonic acids Organic oxoazanium compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phosphonic acid ester - Organophosphonic acid - Organophosphonic acid derivative - Organic nitro compound - C-nitro compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic anion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: C-nitro compound - organophosphonate oxoanion

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