Ronoxon , CAS No.3983-45-7

CAS: 3983-45-7 Cat. No.: R1331224 Formula: C₈H₈Cl₃O₄P Molecular Weight: 305.48 PubChem CID: 77602

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: COP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
• IUPAC Name: dimethyl (2,4,5-trichlorophenyl) phosphate
• InChIKey: XWMMHXRGYYPFAV-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl3O4P/c1-13-16(12,14-2)15-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
• Isomeric SMILES: COP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
• PubChem CID: 77602
• Molecular Weight: 305.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Dialkyl phosphates Chlorobenzenes Aryl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Chlorobenzene - Dialkyl phosphate - Halobenzene - Aryl chloride - Aryl halide - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

Chemical and Physical Properties

• Molecular Weight: 305.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 303.923 Da
• Monoisotopic Mass: 303.923 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 270.000
• 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

Frequently Asked Questions

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 3983-45-7, the molecular formula is C8H8Cl3O4P, and the molecular weight is 305.48 g/mol. InChIKey XWMMHXRGYYPFAV-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.