2-(1-Naphthyl)-5-phenyloxazole - ≥98% , CAS No.846-63-9

CAS: 846-63-9 Cat. No.: N120832 Molecular Weight: 271.31 Beilstein Registry Number: 210666 EC Number: 212-689-7

GRADE & PURITY ≥98%

Synonyms

2-naphthalen-1-yl-5-phenyl-1,3-oxazole | 2-(1-Naphthyl)-5-phenyl-1,3-oxazole | alpha-NPO | 2-alpha-Naphthyl-5-phenyloxazole | AKOS000483724 | NSC 24857 | 2-PHENYL-5-.ALPHA.-NAPHTHYL-1,4-OXAZOLE | D97684 | SR-01000416446-1 | SCHEMBL75682 | E08CN4XD65 | EIN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-naphthalen-1-yl-5-phenyl-1, 3-oxazole | 2-(1-Naphthyl)-5-phenyl-1, 3-oxazole | alpha-NPO | 2-alpha-Naphthyl-5-phenyloxazole | AKOS000483724 | NSC 24857 | 2-PHENYL-5-.ALPHA.-NAPHTHYL-1, 4-OXAZOLE | D97684 | SR-01000416446-1 | SCHEMBL75682 | E08CN4XD65 | EIN

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754483
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754483
• Canonical Smiles: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
• IUPAC Name: 2-naphthalen-1-yl-5-phenyl-1,3-oxazole
• InChIKey: WWVFJJKBBZXWFV-UHFFFAOYSA-N
• INCHI: 1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
• WGK Germany: 3
• Molecular Weight: 271.31
• Beilstein: 210666
• Reaxy-Rn: 210666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210666&ln=

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: Naphthalenes 2,5-disubstituted oxazoles Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Naphthalene - 2,5-disubstituted 1,3-oxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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

• Solubility: Sparingly Soluble (4.1E-4 g/L) (25°C). Soluble most organic solvents.
• Melt Point(°C): 106°C
• Molecular Weight: 271.300 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.1 Da
• Monoisotopic Mass: 271.1 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 338.000
• 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

References

1. Tonghuan Liu, Yichen Hu, Junqiang Yang, Kesheng Hu, Bei Qi, Yun Zhou, Juan Tong, Man Wang, Liang Huang, Keliang Shi, Xiaolin Hou.  (2024)  Recyclable Robust Plastic Scintillation Resin Achieving the Exceptional Separation and Detection of Technetium-99.  Advanced Science,      [PMID:39498872] [10.1002/advs.202411523]