6-Bromoquinoline - ≥96% , CAS No.5332-25-2

CAS: 5332-25-2 Cat. No.: B101593 분자식: C₉H₆BrN 분자량: 208.05 Beilstein Registry Number: 20(5)7,319 EC 번호: 226-238-7

등급 & 순도 ≥96%

Synonyms

NSC3996 | NSC-3996 | EN300-51894 | BCP32570 | UNII-KS7HD5UJ94 | AKOS005199980 | B2015 | EU-0018623 | 6-bromo-quinolin;Quinoline, 6-bromo- | AC-3293 | BB 0237193 | FT-0602231 | SR-01000523992-1 | Z732220500 | SR-01000523992 | NLRP3-IN-2 | 1,1,2,2-Tetraally

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요

Product Application：

6-Bromoquinoline is used as fine chemical and pharmaceutical intermediate, used as the coupling reagent.

사양

동의어

NSC3996 | NSC-3996 | EN300-51894 | BCP32570 | UNII-KS7HD5UJ94 | AKOS005199980 | B2015 | EU-0018623 | 6-bromo-quinolin;Quinoline, 6-bromo- | AC-3293 | BB 0237193 | FT-0602231 | SR-01000523992-1 | Z732220500 | SR-01000523992 | NLRP3-IN-2 | 1,1,2,2-Tetraally

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥96%

이름과 식별자

Pubchem Sid

504755357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755357

정식 스마일

C1=CC2=C(C=CC(=C2)Br)N=C1

IUPAC Name

6-bromoquinoline

InChIKey

IFIHYLCUKYCKRH-UHFFFAOYSA-N

INCHI

1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

이성체 SMILES

C1=CC2=C(C=CC(=C2)Br)N=C1

WGK 독일

3

분자량

208.05

Beilstein

20(5)7,319

Reaxy-Rn

112964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112964&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF.
• 감도: Light sensitive&Air sensitive&heat sensitive
• 동결점(°C): 19 °C
• 굴절률: 1.663
• 발화점(°F): >230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 116 °C/6 mmHg
• 녹는점(°C): 19 °C
• 분자량: 208.050 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.968 Da
• Monoisotopic Mass: 206.968 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, 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 5332-25-2, the molecular formula is C9H6BrN, and the molecular weight is 208.05 g/mol. InChIKey IFIHYLCUKYCKRH-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.