6-Bromo-7-fluoroquinoline - ≥98% , CAS No.127827-52-5

CAS: 127827-52-5 Cat. No.: B586897 Peso molecular: 226.05 Número EC: 817-368-0

GRADE & PURITY ≥98%

Synonyms

FT-0688166 | AM20120613 | IFIKQQLFQMNCRN-UHFFFAOYSA-N | AKOS015853495 | SB71896 | DS-13848 | MFCD13181511 | 6-Bromo-7-fluoroquinoline | 6-Bromo-7-fluoro-quinoline | 7-fluoro-6-bromoquinoline | 6-Bromo-7-fluoro quinoline | EN300-84908 | DTXSID70561532 | Qu

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0688166 | AM20120613 | IFIKQQLFQMNCRN-UHFFFAOYSA-N | AKOS015853495 | SB71896 | DS-13848 | MFCD13181511 | 6-Bromo-7-fluoroquinoline | 6-Bromo-7-fluoro-quinoline | 7-fluoro-6-bromoquinoline | 6-Bromo-7-fluoro quinoline | EN300-84908 | DTXSID70561532 | Qu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=CC(=C(C=C2N=C1)F)Br
• IUPAC Name: 6-bromo-7-fluoroquinoline
• InChIKey: IFIKQQLFQMNCRN-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h1-5H
• Isómeros SMILES: C1=CC2=CC(=C(C=C2N=C1)F)Br
• Peso molecular: 226.05
• Reaxy-Rn: 15594773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15594773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 226.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.959 Da
• Monoisotopic Mass: 224.959 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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

Referencias

1. Man-Man Wang, Zi-Ling Li, Han Wu, Ke-Yan Chen, Fan Guo, Gui-Fu Zuo, Yu He, Xue-Bo Yin.  (2023)  Self-assembled Fe3O4-NH2 @g-C3N4 composite for magnetic solid-phase extraction of benzophenones in sea water and lake water coupled with LC-MS/MS determination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37844496] [10.1016/j.jhazmat.2023.132776]

2. Hao Lin, Shaowei Wang, Yunbing Tang, Zhiyan Hu, Xiaofang Chen, Huitao Li, Yang Zhu, Yiyan Wang, Yi Liu, Ren-shan Ge.  (2023)  Benzophenone-type ultraviolet filters inhibit human and rat placental 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis.  TOXICOLOGY LETTERS,      [PMID:37217011] [10.1016/j.toxlet.2023.05.006]

3. Kaige Zhang, Shuangying Li, Yunhe Wang, Jing Fan, Guifen Zhu.  (2020)  Air-assisted liquid-liquid microextraction based on solidification of floating deep eutectic solvent for the analysis of ultraviolet filters in water samples by high performance liquid chromatography with the aid of response surface methodology.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31980262] [10.1016/j.chroma.2020.460876]

4. Yang Du, Wen-Qian Wang, Zhou-Tao Pei, Fahmi Ahmad, Rou-Rou Xu, Yi-Min Zhang, Li-Wei Sun.  (2017)  Acute Toxicity and Ecological Risk Assessment of Benzophenone-3 (BP-3) and Benzophenone-4 (BP-4) in Ultraviolet (UV)-Filters.  International Journal of Environmental Research and Public Health,  14  (11): (1414).  [PMID:29156601] [10.3390/ijerph14111414]

5. Yu-Jia Lin, Hong-Mei Li, Yan-Rong Gao, Ping-Fan Wu, Bin Cheng, Chen-Long Yu, Yu-Xin Sheng, Hai-Ming Xu.  (2024)  Environmentally relevant concentrations of benzophenones exposure disrupt intestinal homeostasis, impair the intestinal barrier, and induce inflammation in mice.  ENVIRONMENTAL POLLUTION,      [PMID:38614423] [10.1016/j.envpol.2024.123948]

6. Xu Jing, Gu Kaiye, Wang Peifang, Cheng Pengfei, Che Huinan, Tang Chunmei, Zhang Kan, Ao Yanhui.  (2025)  Piezo-catalytic in-site H2O2 generation and activation across wide pH range to drive hydroxyl radical-mediated pollutant degradation.  Nature Communications,  16  (1): (1-11).  [PMID:40854902] [10.1038/s41467-025-63337-x]

7. Huai-Fan Zhai, Ya-Nan Tian, Yu-Xin Sheng, Ya-Jia Pu, Yan-Rong Gao, Jia-Yi Chen, Jia-Di Liu, Jia Ma, Hai-Ming Xu, Peng-Bin Yang.  (2025)  Study on Hepatotoxicity of Benzophenone-3 at Environmental Concentration in Postpartum Mice.  Toxics,  13  (12):   [PMID:41441235] [10.3390/toxics13121014]

8. Xin Li, Zuo Tong How, Xiaochen Wu, Chenye Wang, Jian Xu, Changsheng Guo, Ying Zhang, Xiaoxian Yang, Jinzeng Gu, Rui Qin, Like Chen.  (2026)  Sources, removal performance, and ecological risks of organic UV filters in wastewater treatment plants on Hainan Island.  Environmental Chemistry and Ecotoxicology,      [PMID:] [10.1016/j.enceco.2026.05.007]