5-Bromoindoline - ≥98% , CAS No.22190-33-6

CAS: 22190-33-6 Cat. No.: B124815 Fórmula: C₈H₈BrN Peso molecular: 198.06 Beilstein Registry Number: 121590 Número EC: 629-063-8

GRADE & PURITY ≥98%

Synonyms

FT-0600840 | DTXSID60392231 | US9708268, 11 | STK149491 | BCP27442 | BDBM261508 | 5-bromo-2,3-dihydro-1H-indole | 5-bromo-2,3-dihydro-indole | AM20120472 | AKOS003273737 | MFCD00027410 | SB35536 | AC-27800 | 1H-Indole, 5-bromo-2,3-dihydro- | FS-3347 | 5-B

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

FT-0600840 | DTXSID60392231 | US9708268, 11 | STK149491 | BCP27442 | BDBM261508 | 5-bromo-2,3-dihydro-1H-indole | 5-bromo-2,3-dihydro-indole | AM20120472 | AKOS003273737 | MFCD00027410 | SB35536 | AC-27800 | 1H-Indole, 5-bromo-2,3-dihydro- | FS-3347 | 5-B

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762554
• Sonrisas canónicas: C1CNC2=C1C=C(C=C2)Br
• IUPAC Name: 5-bromo-2,3-dihydro-1H-indole
• InChIKey: QEDCHCLHHGGYBT-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
• Isómeros SMILES: C1CNC2=C1C=C(C=C2)Br
• WGK Alemania: 3
• Peso molecular: 198.06
• Beilstein: 121590
• Reaxy-Rn: 121590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121590&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl bromides Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Azacycle - Secondary amine - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive,heat sensitive
• Índice de refracción: 1.63
• Punto de ebullición (°C): 132°C
• Punto de fusión (°C): 39.0-43.0°C
• Peso molecular: 198.060 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.984 Da
• Monoisotopic Mass: 196.984 Da
• Topological Polar Surface Area: 12.000 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 22190-33-6, the molecular formula is C8H8BrN, and the molecular weight is 198.06 g/mol. InChIKey QEDCHCLHHGGYBT-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.