5-Chlorindol - ≥98% , CAS No.17422-32-1

CAS: 17422-32-1 Cat. No.: C119122 Summenformel: C₈H₆ClN Molekulargewicht: 151.6 Beilstein Registry Number: 2651 EG-Nummer: 241-448-9

GRADE & PURITY ≥98%

Synonyms

AB00485 | Q27451623 | STK503692 | A811622 | EN300-68660 | AM20061192 | N-Fluorodi(benzenesulfonyl)amine | NSC 89562 | AKOS000266642 | 3fue | 5-Chloro-1H-indole | BBL037749 | CG-0504 | 1H-Indole, 5-chloro- | 5-chloro-1H-indole. | C-4218 | 5-chloranyl-1H-in

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

5-Chlorindol kann durch Verwendung von 3-Chlorbenzaldehyd als Ausgangsreagenz synthetisiert werden. 5-Chlorindol ist ein 5-substituiertes Indol. Es ist ein potenzieller positiver allosterischer Modulator (PAM) des 5-HT3-Rezeptors und wurde als starker Inhibitor der Kupferauflösung in saurer Natriumchloridlösung beschrieben und als Korrosionsinhibitor von Baustahl in 1N entlüfteter Schwefelsäure getestet. Die Synthese von 5-Chlorindol durch Nitrierung von Indolin wurde beschrieben.

Specifications

Synonyme

AB00485 | Q27451623 | STK503692 | A811622 | EN300-68660 | AM20061192 | N-Fluorodi(benzenesulfonyl)amine | NSC 89562 | AKOS000266642 | 3fue | 5-Chloro-1H-indole | BBL037749 | CG-0504 | 1H-Indole, 5-chloro- | 5-chloro-1H-indole. | C-4218 | 5-chloranyl-1H-in

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504755864
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755864
• Kanonisches Lächeln: C1=CC2=C(C=CN2)C=C1Cl
• IUPAC Name: 5-chloro-1H-indole
• InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
• Isomere SMILES: C1=CC2=C(C=CN2)C=C1Cl
• WGK Deutschland: 3
• Molekulargewicht: 151.6
• Beilstein: 2651
• Reaxy-Rn: 2651
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2651&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Zugehörige Ziele (menschlich)

LTA4H Tchem Leukotriene A4 hydrolase (1442 Activities)

Discover Target: LTA4H

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)

Discover Target: NR4A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Blood (6 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol.
• Empfindlichkeit: air&light sensitive
• Siedepunkt (°C): 130 °C/0.4 mmHg
• Schmelzpunkt (°C): 69-71°C
• Molekulargewicht: 151.590 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 151.019 Da
• Monoisotopic Mass: 151.019 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Referenzen

1. Chunyan Wang, Jihuai Wu, Shibo Wang, Zhongliang Yan, Xuping Liu, Guodong Li, Liqiang Chen, Sijia Zhu, Weihai Sun, Zhang Lan.  (2021)  5-Chloroindole as Interface Modifier to Improve the Efficiency and Stability of Planar Perovskite Solar Cells.  Solar RRL,  6  (4): (2100995).  [PMID:] [10.1002/solr.202100995]