5-Bromoisoquinoline - ≥98% , CAS No.34784-04-8

CAS: 34784-04-8 Cat. No.: B102307 Fórmula: C₉H₆BrN Peso molecular: 208.05 Beilstein Registry Number: 20(5)7,364 Número CE: 626-788-1

GRADE & PURITY ≥98%

Synonyms

CYJZJGYYTFQQBY-UHFFFAOYSA-N | 5-Bromoisoquinoline | 5-Bromo-isoquinoline | Z57204608 | SR-01000506847-1 | 5-Bromo isoquinoline | 5-Bromoisoquinolin | AB09627 | F0918-4369 | FT-0620164 | FS-2226 | ISOQUINOLINE, 5-BROMO- | STK023322 | MFCD01646405 | EN300-3

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CYJZJGYYTFQQBY-UHFFFAOYSA-N | 5-Bromoisoquinoline | 5-Bromo-isoquinoline | Z57204608 | SR-01000506847-1 | 5-Bromo isoquinoline | 5-Bromoisoquinolin | AB09627 | F0918-4369 | FT-0620164 | FS-2226 | ISOQUINOLINE, 5-BROMO- | STK023322 | MFCD01646405 | EN300-3

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488191353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191353
• Sorrisos canónicos: C1=CC2=C(C=CN=C2)C(=C1)Br
• IUPAC Name: 5-bromoisoquinoline
• InChIKey: CYJZJGYYTFQQBY-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
• SMILES isoméricas: C1=CC2=C(C=CN=C2)C(=C1)Br
• WGK Alemanha: 3
• Peso molecular: 208.05
• Beilstein: 20(5)7,364
• Reaxy-Rn: 114468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114468&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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 Methanol
• Sensibilidade: Light sensitive.
• Ponto de ebulição (°C): 95-97°C
• Ponto de fusão (°C): 83-87℃
• Peso molecular: 208.050 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.968 Da
• Monoisotopic Mass: 206.968 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 34784-04-8, the molecular formula is C9H6BrN, and the molecular weight is 208.05 g/mol. InChIKey CYJZJGYYTFQQBY-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.