6-cloroindolina - ≥95% , CAS No.52537-00-5

CAS: 52537-00-5 Cat. No.: D303889 Peso molecular: 153.61 Número EC: 884-630-9

GRADE & PURITY ≥95%

Synonyms

BB 0260949 | DTXSID20293174 | FT-0715060 | Z926915320 | SB37510 | F11859 | A829131 | EN300-59997 | MFCD07371639 | SCHEMBL549646 | HSLNYVREDLDESE-UHFFFAOYSA-N | 6-chloro-2,3-dihydro-1h-indole | 6-Chloroindoline | 6-chloro-indoline | AKOS006229895 | NSC8762

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

BB 0260949 | DTXSID20293174 | FT-0715060 | Z926915320 | SB37510 | F11859 | A829131 | EN300-59997 | MFCD07371639 | SCHEMBL549646 | HSLNYVREDLDESE-UHFFFAOYSA-N | 6-chloro-2, 3-dihydro-1h-indole | 6-Chloroindoline | 6-chloro-indoline | AKOS006229895 | NSC8762

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758167
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758167
• Sonrisas canónicas: C1CNC2=C1C=CC(=C2)Cl
• IUPAC Name: 6-chloro-2,3-dihydro-1H-indole
• InChIKey: HSLNYVREDLDESE-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
• Isómeros SMILES: C1CNC2=C1C=CC(=C2)Cl
• Peso molecular: 153.61
• Reaxy-Rn: 1424137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424137&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 chlorides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Amine - Organonitrogen compound - Organochloride - 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

Propiedades químicas y físicas

• Peso molecular: 153.610 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.035 Da
• Monoisotopic Mass: 153.035 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