6-Bromo-1-methylindolin-2-one - ≥95% , CAS No.897957-06-1

CAS: 897957-06-1 Cat. No.: B590616 Fórmula: C₉H₈BrNO Peso molecular: 226.07

GRADE & PURITY ≥95%

Synonyms

6-BROMO-1-METHYLINDOLIN-2-ONE | AMY1954 | 6-BROMO-1-METHYL-3H-INDOL-2-ONE | AKOS023598911 | UUQLZGHQLZAFHD-UHFFFAOYSA-N | 6-bromo-1-methyl-1,3-dihydro-indol-2-one | MFCD25542196 | DTXSID701263125 | SCHEMBL290257 | SY119942 | DS-12332 | SB15909 | XKB95706

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

6-BROMO-1-METHYLINDOLIN-2-ONE | AMY1954 | 6-BROMO-1-METHYL-3H-INDOL-2-ONE | AKOS023598911 | UUQLZGHQLZAFHD-UHFFFAOYSA-N | 6-bromo-1-methyl-1,3-dihydro-indol-2-one | MFCD25542196 | DTXSID701263125 | SCHEMBL290257 | SY119942 | DS-12332 | SB15909 | XKB95706

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CN1C(=O)CC2=C1C=C(C=C2)Br

IUPAC Name

6-bromo-1-methyl-3H-indol-2-one

InChIKey

UUQLZGHQLZAFHD-UHFFFAOYSA-N

INCHI

1S/C9H8BrNO/c1-11-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3

SMILES isoméricas

CN1C(=O)CC2=C1C=C(C=C2)Br

Peso molecular

226.07

Reaxy-Rn

20880305

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20880305&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Benzenoids Aryl bromides Tertiary carboxylic acid amides Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aryl bromide - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

• Peso molecular: 226.070 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 224.979 Da
• Monoisotopic Mass: 224.979 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 207.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 897957-06-1, the molecular formula is C9H8BrNO, and the molecular weight is 226.07 g/mol. InChIKey UUQLZGHQLZAFHD-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.