Oxazole - ≥98% , CAS No.288-42-6

CAS: 288-42-6 Cat. No.: O100893 분자식: C₃H₃NO 분자량: 69.06 Beilstein Registry Number: 103851 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488180955
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180955
• 정식 스마일: C1=COC=N1
• IUPAC Name: 1,3-oxazole
• InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N
• INCHI: 1S/C3H3NO/c1-2-5-3-4-1/h1-3H
• 이성체 SMILES: C1=COC=N1
• WGK 독일: 3
• UN 번호: 1993
• 분자량: 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
    • 분류 Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with alcohol and ether. Slightly miscible with water.
• 감도: air sensitive
• 굴절률: 1.4285
• 발화점(°F): 66.2 °F
• 발화점(°C): 19°C
• 끓는점(°C): 70°C
• 녹는점(°C): -86°C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

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.