Chromone - ≥99% , CAS No.491-38-3

CAS: 491-38-3 Cat. No.: C170570 分子式: C₉H₆O₂ 分子量: 146.14 EC番号: 207-737-9

GRADE & PURITY ≥99%

Synonyms

FT-0632217 | 4-oxo-4H-1-benzopyran | Benzopyrone | 4H-Chromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pyrone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (Beilstein Handbook Reference) | chrome

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FT-0632217 | 4-oxo-4H-1-benzopyran | Benzopyrone | 4H-Chromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pyrone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (Beilstein Handbook Reference) | chrome

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

• パブケム・シド: 488181106
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181106
• カノニカル・スマイル: C1=CC=C2C(=C1)C(=O)C=CO2
• IUPAC Name: chromen-4-one
• InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
• INCHI: 1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
• 異性体SMILES: C1=CC=C2C(=C1)C(=O)C=CO2
• WGKドイツ: 3
• RTECS: GB7887000
• 分子量: 146.14
• Reaxy-Rn: 114087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• External Descriptors: enone - chromones

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

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 55-60 °C (lit.)
• 分子量: 146.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.037 Da
• Monoisotopic Mass: 146.037 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 196.000
• 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

参考文献

1. Yongjie Zhang, Xiaopei Li, Wenqin Zhu, Pibo Liu, Juntao Ren, Shangtao Chen, Yanming Hu, Guangyuan Zhou.  (2022)  A multi-functional chromone-modified polyethylene obtained by metal-free C–H activation.  Polymer Chemistry,  13  (10): (1437-1445).  [PMID:] [10.1039/D1PY01604K]

2. Zhou Lei, Qiu Jiaqi, Wang Maolin, Xu Zhenkai, Wang Jiping, Chen Tao.  (2020)  Fabrication of Nanoreactors Based on End-Functionalized Polymethacrylate and Their Catalysis Application.  Journal of Inorganic and Organometallic Polymers and Materials,  30  (11): (4569-4577).  [PMID:] [10.1007/s10904-020-01599-2]

3. Renjie Li, Haizhe Zhang, Weiqi Leng, Zhipeng Liu, Jiangtao Shi.  (2024)  Highly-fluorescent extracts from Pterocarpus wood for Fe3+ ion detection.  TALANTA,      [PMID:38850805] [10.1016/j.talanta.2024.126384]

4. Yuanjie Teng, Pei Xu, Zihang Zhou, Ning Xu, Jiayi Qiu, Yi Zhong, Jie Li, Haimin Shen, Zaifa Pan, Tianyu Hu, Xingchen Zhang, Yantao Lou.  (2025)  Supermolecule-engineered nanogap hotspots: Ultra-selective and sensitive SERS detection and intracellular imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170021]