7-Bromo-4-chloro-1H-indole - ≥95% , CAS No.126811-29-8

CAS: 126811-29-8 Cat. No.: B586876 Peso molecular: 230.49 Número EC: 856-763-2

GRADE & PURITY ≥95%

Synonyms

AKOS016009968 | DTXSID50595936 | 7-Bromo-4-chloro-1H-indole | FT-0746316 | A889361 | EN300-1588106 | MFCD09749918 | DS-6320 | AMY9632 | 4-CHLORO-7-BROMOINDOLE | ZFBAFEMIPJPWPF-UHFFFAOYSA-N | BFA81129 | 1H-Indole, 7-bromo-4-chloro- | Z1269149090 | SY113195

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AKOS016009968 | DTXSID50595936 | 7-Bromo-4-chloro-1H-indole | FT-0746316 | A889361 | EN300-1588106 | MFCD09749918 | DS-6320 | AMY9632 | 4-CHLORO-7-BROMOINDOLE | ZFBAFEMIPJPWPF-UHFFFAOYSA-N | BFA81129 | 1H-Indole, 7-bromo-4-chloro- | Z1269149090 | SY113195

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C2C(=C1Cl)C=CN2)Br
• IUPAC Name: 7-bromo-4-chloro-1H-indole
• InChIKey: ZFBAFEMIPJPWPF-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
• Isómeros SMILES: C1=CC(=C2C(=C1Cl)C=CN2)Br
• CAS alternativo: 126811-29-8
• Peso molecular: 230.49
• Reaxy-Rn: 8680069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8680069&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl chlorides Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 345.8±22.0°C（760 mmHg）
• Peso molecular: 230.490 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 228.929 Da
• Monoisotopic Mass: 228.929 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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