Oxazole - ≥98% , CAS No.288-42-6

CAS: 288-42-6 Cat. No.: O100893 分子式: C₃H₃NO 分子量: 69.06 Beilstein Registry Number: 103851 EC番号: 206-020-8

GRADE & PURITY ≥98%

Synonyms

F0001-0902 | EN300-67789 | CHEBI:35597 | InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3 | Q413437 | FT-0656517 | Oxazole, 98% | PB17048 | oxazol | FT-0606737 | MFCD00009751 | DTXSID70182983 | AM20090378 | STL557144 | AA-511/25015522 | J-017295 | OXAZOLE | HY-34631 | O0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Oxazole ring is present in various natural products. The diradical interactions in the ring-opening reaction of oxazole were studied

Specifications

同義語

F0001-0902 | EN300-67789 | CHEBI:35597 | InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3 | Q413437 | FT-0656517 | Oxazole, 98% | PB17048 | oxazol | FT-0606737 | MFCD00009751 | DTXSID70182983 | AM20090378 | STL557144 | AA-511/25015522 | J-017295 | OXAZOLE | HY-34631 | O0

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 488180955
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180955
• カノニカル・スマイル: C1=COC=N1
• IUPAC Name: 1,3-oxazole
• InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N
• INCHI: 1S/C3H3NO/c1-2-5-3-4-1/h1-3H
• 異性体SMILES: C1=COC=N1
• WGKドイツ: 3
• UN番号: 1993
• 分子量: 69.06
• Beilstein: 103851
• Reaxy-Rn: 103851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103851&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as oxazoles. These are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• External Descriptors: 1,3-oxazoles - mancude organic heteromonocyclic parent - monocyclic heteroarene

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with alcohol and ether. Slightly miscible with water.
• 感度: air sensitive
• 屈折率: 1.4285
• 引火点（°F）: 66.2 °F
• 引火点（°C）: 19°C
• 沸点（°C）: 70°C
• 融点（°C）: -86°C
• 分子量: 69.060 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 69.0215 Da
• Monoisotopic Mass: 69.0215 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.100
• 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

参考文献

1. Qing Zhihe, Li Yacheng, Li Younan, Luo Guoyan, Hu Jinlei, Zou Zhen, Lei Yanli, Liu Juewen, Yang Ronghua.  (2020)  Thiol-suppressed I2-etching of AuNRs: acetylcholinesterase-mediated colorimetric detection of organophosphorus pesticides.  MICROCHIMICA ACTA,  187  (9): (1-9).  [PMID:32803418] [10.1007/s00604-020-04486-2]

2. Li Younan, Luo Guoyan, Qing Zhihe, Li Xiaoxuan, Zou Zhen, Yang Ronghua.  (2019)  Colorimetric aminotriazole assay based on catalase deactivation-dependent longitudinal etching of gold nanorods.  MICROCHIMICA ACTA,  186  (8): (1-7).  [PMID:31338677] [10.1007/s00604-019-3677-1]

よくある質問

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 288-42-6, the molecular formula is C3H3NO, and the molecular weight is 69.06 g/mol. InChIKey ZCQWOFVYLHDMMC-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.