2-(2-Chlorophenyl)oxazole - ≥95% , CAS No.62881-98-5

CAS: 62881-98-5 Cat. No.: C185659 Formule: C₉H₆ClNO Poids moléculaire: 179.6

QUALITÉ & PURETÉ ≥95%

Synonyms

IWUACMRENZNWBB-UHFFFAOYSA-N | 2-(2-Chlorophenyl)-1,3-oxazole | 2-(2-Chlorophenyl)-1,3-oxazole # | SCHEMBL739276 | Oxazole, 2-(2-chlorophenyl)- | AKOS006229827 | MB02703 | MFCD03407330 | 2-(2-Chlorophenyl)oxazole | 2-(2-chlorophenyl)-oxazole | FT-0608455 |

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

IWUACMRENZNWBB-UHFFFAOYSA-N | 2-(2-Chlorophenyl)-1,3-oxazole | 2-(2-Chlorophenyl)-1,3-oxazole # | SCHEMBL739276 | Oxazole, 2-(2-chlorophenyl)- | AKOS006229827 | MB02703 | MFCD03407330 | 2-(2-Chlorophenyl)oxazole | 2-(2-chlorophenyl)-oxazole | FT-0608455 |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=CC=C(C(=C1)C2=NC=CO2)Cl

IUPAC Name

2-(2-chlorophenyl)-1,3-oxazole

InChIKey

IWUACMRENZNWBB-UHFFFAOYSA-N

INCHI

1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H

Isomères SMILES

C1=CC=C(C(=C1)C2=NC=CO2)Cl

Poids moléculaire

179.6

Reaxy-Rn

973428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973428&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Chlorobenzenes 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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

Propriétés chimiques et physiques

• Poids moléculaire: 179.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.014 Da
• Monoisotopic Mass: 179.014 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 62881-98-5, the molecular formula is C9H6ClNO, and the molecular weight is 179.6 g/mol. InChIKey IWUACMRENZNWBB-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.