5-Bromo-2-indolinone - ≥97% , CAS No.20870-78-4

CAS: 20870-78-4 Cat. No.: B121634 Peso molecular: 212.05 Número EC: 626-894-8

GRADE & PURITY ≥97%

Synonyms

Z299596076 | DTXSID90346323 | 5-bromoxindole | HY-B0094 | 5-bromoindolin-2-one | STL122161 | 5-Bromooxindole | 5-Bromo-oxindole | AKOS000172118 | 5-Bromoindalin-2-on | BB 0254288 | BD166530 | AM20030324 | PB32208 | B-8958 | GEO-00536 | BP-10964 | 5-Bromo-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z299596076 | DTXSID90346323 | 5-bromoxindole | HY-B0094 | 5-bromoindolin-2-one | STL122161 | 5-Bromooxindole | 5-Bromo-oxindole | AKOS000172118 | 5-Bromoindalin-2-on | BB 0254288 | BD166530 | AM20030324 | PB32208 | B-8958 | GEO-00536 | BP-10964 | 5-Bromo-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759533
• Sonrisas canónicas: C1C2=C(C=CC(=C2)Br)NC1=O
• IUPAC Name: 5-bromo-1,3-dihydroindol-2-one
• InChIKey: VIMNAEVMZXIKFL-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
• Isómeros SMILES: C1C2=C(C=CC(=C2)Br)NC1=O
• WGK Alemania: 3
• Peso molecular: 212.05
• Reaxy-Rn: 128635
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128635&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: Benzenoids Aryl bromides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aryl bromide - Aryl halide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen 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

• Solubilidad: Soluble in Dimethylformamide
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 222°C
• Peso molecular: 212.040 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.963 Da
• Monoisotopic Mass: 210.963 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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