2-(2,4-Dichlorophenyl)oxazole - ≥98% , CAS No.1242336-71-5

CAS: 1242336-71-5 Cat. No.: D180519 Formula: C₉H₅Cl₂NO Molecular Weight: 214 PubChem CID: 18989593

GRADE & PURITY ≥98%

Synonyms

DTXSID70597179 | 2-(2,4-DICHLOROPHENYL)OXAZOLE | A890546 | 1242336-71-5 | BS-19595 | 2-(2,4-dichlorophenyl)-1,3-oxazole | MFCD16660292 | Oxazole, 2-(2,4-dichlorophenyl)- | AKOS015850070

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70597179 | 2-(2,4-DICHLOROPHENYL)OXAZOLE | A890546 | 1242336-71-5 | BS-19595 | 2-(2,4-dichlorophenyl)-1,3-oxazole | MFCD16660292 | Oxazole, 2-(2,4-dichlorophenyl)- | AKOS015850070

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)C2=NC=CO2
• IUPAC Name: 2-(2,4-dichlorophenyl)-1,3-oxazole
• InChIKey: YWHOOKZYOXJCSH-UHFFFAOYSA-N
• INCHI: 1S/C9H5Cl2NO/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-5H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC=CO2
• PubChem CID: 18989593
• Molecular Weight: 214

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl 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: 214.040 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.975 Da
• Monoisotopic Mass: 212.975 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 1242336-71-5, the molecular formula is C9H5Cl2NO, and the molecular weight is 214 g/mol. InChIKey YWHOOKZYOXJCSH-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.