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

CAS: 897957-06-1 Cat. No.: B590616 Summenformel: C₉H₈BrNO Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.