6-Fluoro-1H-indole-3-carbaldehyde - ≥98% , CAS No.2795-41-7

CAS: 2795-41-7 Cat. No.: F588543 Peso molecular: 163.14 Número EC: 636-665-4

GRADE & PURITY ≥98%

Synonyms

AB01321128-02 | BCP9000193 | NSC96903 | NSC-96903 | DTXSID60294524 | 6-fluoro-1h-indole-3-carboxaldehyde | Z385446070 | PS-8748 | EN300-51331 | F-5120 | 1H-Indole-3-carboxaldehyde, 6-fluoro- | STK931833 | AKOS005063862 | FT-0621118 | 6-Fluoroindole-3-carb

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product Application:

6-Fluoroindole-3-carboxaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Specifications

Sinónimos

AB01321128-02 | BCP9000193 | NSC96903 | NSC-96903 | DTXSID60294524 | 6-fluoro-1h-indole-3-carboxaldehyde | Z385446070 | PS-8748 | EN300-51331 | F-5120 | 1H-Indole-3-carboxaldehyde, 6-fluoro- | STK931833 | AKOS005063862 | FT-0621118 | 6-Fluoroindole-3-carb

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

• Sonrisas canónicas: C1=CC2=C(C=C1F)NC=C2C=O
• IUPAC Name: 6-fluoro-1H-indole-3-carbaldehyde
• InChIKey: CWCYUOSLRVAKQZ-UHFFFAOYSA-N
• INCHI: 1S/C9H6FNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
• Isómeros SMILES: C1=CC2=C(C=C1F)NC=C2C=O
• Peso molecular: 163.14
• Reaxy-Rn: 1449332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449332&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: Aryl-aldehydes Substituted pyrroles Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic oxide - Aldehyde - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

• Solubilidad: Soluble in methanol.
• Peso molecular: 163.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.043 Da
• Monoisotopic Mass: 163.043 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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