7-Chloroindole - ≥98% , CAS No.53924-05-3

CAS: 53924-05-3 Cat. No.: C119151 Summenformel: C₈H₆ClN Molekulargewicht: 151.59 Beilstein Registry Number: 114743 EG-Nummer: 258-865-7

GRADE & PURITY ≥98%

Synonyms

BIDD:GT0137 | 7-Chloroindole, 97% | WMYQAKANKREQLM-UHFFFAOYSA-N | 2-hydroxyethylmethylamine | SB14992 | DTXSID80202207 | 3,5-xylyloxyaceticacid | AC-24620 | SCHEMBL443938 | Z1255488512 | A7832 | C2436 | C-4250 | FS-2241 | AKOS000120568 | Indole, 7-chloro

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

7-Chloroindole is an indole derivative. It has been synthesized from 2,3-dihydroindole.

Application：

7-Chloroindole may be used in the preparation of 1-methyl-7-chloroindole and glycosylated 7-chloroindole-3-acetamide.

Specifications

Synonyme

BIDD:GT0137 | 7-Chloroindole, 97% | WMYQAKANKREQLM-UHFFFAOYSA-N | 2-hydroxyethylmethylamine | SB14992 | DTXSID80202207 | 3,5-xylyloxyaceticacid | AC-24620 | SCHEMBL443938 | Z1255488512 | A7832 | C2436 | C-4250 | FS-2241 | AKOS000120568 | Indole, 7-chloro

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488187365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187365
• Kanonisches Lächeln: C1=CC2=C(C(=C1)Cl)NC=C2
• IUPAC Name: 7-chloro-1H-indole
• InChIKey: WMYQAKANKREQLM-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
• Isomere SMILES: C1=CC2=C(C(=C1)Cl)NC=C2
• WGK Deutschland: 3
• Molekulargewicht: 151.59
• Beilstein: 114743
• Reaxy-Rn: 114743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114743&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)

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 90-95°C
• Schmelzpunkt (°C): 55-58°C
• Molekulargewicht: 151.590 g/mol
• XLogP3: 3.400
• 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