5-Fluoroindoline - ≥97% , CAS No.2343-22-8

CAS: 2343-22-8 Cat. No.: F124808 Formula: C₈H₈FN Molecular Weight: 137.16 EC Number: 671-183-8

GRADE & PURITY ≥97%

Synonyms

5-fluoroindoline|2343-22-8|5-fluoro-2,3-dihydro-1H-indole|5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE|1H-Indole, 5-fluoro-2,3-dihydro-|5-Fluoro-2,3-dihydroindole|MFCD00214461|5-fluoro-indoline|2,3-Dihydro-5-fluoro-1H-indole|Peakdale1_000398|5-Fluoroindoline, 97%|SCH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

application：

5-Fluoroindoline is used as pharmaceutical intermediate.

Specifications

Synonyms

5-fluoroindoline | 2343-22-8 | 5-fluoro-2,3-dihydro-1H-indole | 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE | 1H-Indole, 5-fluoro-2,3-dihydro- | 5-Fluoro-2,3-dihydroindole | MFCD00214461 | 5-fluoro-indoline | 2,3-Dihydro-5-fluoro-1H-indole | Peakdale1_000398 | 5-Fluoroindoline, 97% | SCH

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

508809863

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809863

Canonical Smiles

C1CNC2=C1C=C(C=C2)F

IUPAC Name

5-fluoro-2,3-dihydro-1H-indole

InChIKey

NXQRMQIYCWFDGP-UHFFFAOYSA-N

INCHI

1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

Isomeric SMILES

C1CNC2=C1C=C(C=C2)F

Molecular Weight

137.16

Reaxy-Rn

1424138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424138&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl fluorides Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl fluoride - Azacycle - Secondary amine - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: air ＆light ＆Moisture sensitive
• Molecular Weight: 137.150 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.064 Da
• Monoisotopic Mass: 137.064 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