5-Bromo-8-hydroxyquinoline - ≥96%(GC) , CAS No.1198-14-7

CAS: 1198-14-7 Cat. No.: B138092 分子式: C₉H₆BrNO 分子量: 224.06 Beilstein Registry Number: 21(5)3,288 EC番号: 214-829-2

GRADE & PURITY ≥96%(GC)

Synonyms

AC-4822 | SB71615 | FT-0656515 | BRN 0129563 | AMY4308 | Oprea1_227628 | NSC 74941 | SR-01000289102-1 | AMS_CNC_ID-183167834 | InChI=1/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12 | SMSSF-0625760 | F3308-0252 | STK370867 | NSC74941 | NSC-74941 | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AC-4822 | SB71615 | FT-0656515 | BRN 0129563 | AMY4308 | Oprea1_227628 | NSC 74941 | SR-01000289102-1 | AMS_CNC_ID-183167834 | InChI=1/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12 | SMSSF-0625760 | F3308-0252 | STK370867 | NSC74941 | NSC-74941 | SCHEM

仕様と純度

≥96%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥96%(GC)

名前と識別子

• パブケム・シド: 488184622
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184622
• カノニカル・スマイル: C1=CC2=C(C=CC(=C2N=C1)O)Br
• IUPAC Name: 5-bromoquinolin-8-ol
• InChIKey: WIIUANWSGSTCLG-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
• 異性体SMILES: C1=CC2=C(C=CC(=C2N=C1)O)Br
• RTECS: VC4582000
• 分子量: 224.06
• Beilstein: 21(5)3,288
• Reaxy-Rn: 129563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129563&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: 8-hydroxyquinolines P-bromophenols 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - 8-hydroxyquinoline - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 127 °C
• 分子量: 224.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.963 Da
• Monoisotopic Mass: 222.963 Da
• Topological Polar Surface Area: 33.100 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

参考文献

1. Haobo Xie, Mingu Zhou, Xiaorui Cui, Chao Li, Yongjun Wu, Xinjuan Luo, Mao-Sen Yuan.  (2023)  A metal-complex based chemosensor for the detection of riboflavin and folate.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:37678046] [10.1016/j.saa.2023.123321]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1198-14-7, the molecular formula is C9H6BrNO, and the molecular weight is 224.06 g/mol. InChIKey WIIUANWSGSTCLG-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.