7-Bromo-3-hydroxyisoquinoline - ≥95% , CAS No.662139-46-0

CAS: 662139-46-0 Cat. No.: B185885 Formule: C₉H₆BrNO Poids moléculaire: 224.1 Numéro CE: 640-717-1

GRADE & PURITY ≥95%

Synonyms

P20226 | AKOS016001378 | FT-0714106 | 7-bromo-2H-isoquinolin-3-one;7-Bromoisoquinolin-3-ol | PS-5090 | MFCD11040414 | 7-Bromo-isoquinolin-3-ol | 7-Bromoisoquinolin-3-ol | 3(2H)-Isoquinolinone, 7-bromo- | SB38185 | 7-Bromoisoquinolin-3(2H)-one | A835366 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

P20226 | AKOS016001378 | FT-0714106 | 7-bromo-2H-isoquinolin-3-one;7-Bromoisoquinolin-3-ol | PS-5090 | MFCD11040414 | 7-Bromo-isoquinolin-3-ol | 7-Bromoisoquinolin-3-ol | 3(2H)-Isoquinolinone, 7-bromo- | SB38185 | 7-Bromoisoquinolin-3(2H)-one | A835366 |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=CC(=CC2=CNC(=O)C=C21)Br

IUPAC Name

7-bromo-2H-isoquinolin-3-one

InChIKey

BRRWUDMFAZPPKR-UHFFFAOYSA-N

INCHI

1S/C9H6BrNO/c10-8-2-1-6-4-9(12)11-5-7(6)3-8/h1-5H,(H,11,12)

Isomères SMILES

C1=CC(=CC2=CNC(=O)C=C21)Br

Poids moléculaire

224.1

Reaxy-Rn

32074495

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32074495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Pyridinones Benzenoids Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 224.050 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 222.963 Da
• Monoisotopic Mass: 222.963 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 361.000
• 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

Foire aux questions

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 room temperature.

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 662139-46-0, the molecular formula is C9H6BrNO, and the molecular weight is 224.1 g/mol. InChIKey BRRWUDMFAZPPKR-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.