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

CAS: 20870-78-4 Cat. No.: B121634 Fórmula: C₈H₆BrNO Peso molecular: 212.05 Número CE: 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-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504759533

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759533

Sorrisos canónicos

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)

SMILES isoméricas

C1C2=C(C=CC(=C2)Br)NC1=O

WGK Alemanha

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
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Dimethylformamide
• Sensibilidade: Air Sensitive
• Ponto de fusão (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20870-78-4, the molecular formula is C8H6BrNO, and the molecular weight is 212.05 g/mol. InChIKey VIMNAEVMZXIKFL-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.