8-Iodoquinoline - ≥98%(GC) , CAS No.1006-47-9

CAS: 1006-47-9 Cat. No.: I157529 Fórmula: C₉H₆IN Peso molecular: 255.06 Número CE: 811-836-8

GRADE & PURITY ≥98%(GC)

Synonyms

SB11192 | SCHEMBL1282001 | SY051231 | SMSSF-0625474 | OBEGSKDGFBFMFJ-UHFFFAOYSA-N | AMS_CNC_ID-1827713337 | Quinoline, 8-iodo- | I0965 | EN300-67222 | DS-13270 | P10543 | MFCD08062396 | DTXSID60590477 | FT-0685552 | 8-Iodoquinoline | 8-Iodo-quinoline | AK

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SB11192 | SCHEMBL1282001 | SY051231 | SMSSF-0625474 | OBEGSKDGFBFMFJ-UHFFFAOYSA-N | AMS_CNC_ID-1827713337 | Quinoline, 8-iodo- | I0965 | EN300-67222 | DS-13270 | P10543 | MFCD08062396 | DTXSID60590477 | FT-0685552 | 8-Iodoquinoline | 8-Iodo-quinoline | AK

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504768618

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768618

Sorrisos canónicos

C1=CC2=C(C(=C1)I)N=CC=C2

IUPAC Name

8-iodoquinoline

InChIKey

OBEGSKDGFBFMFJ-UHFFFAOYSA-N

INCHI

1S/C9H6IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

SMILES isoméricas

C1=CC2=C(C(=C1)I)N=CC=C2

Peso molecular

255.06

Reaxy-Rn

115363

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

• Sensibilidade: Air sensitive;Heat sensitive
• Ponto de inflamação (°C): 148 °C
• Ponto de fusão (°C): 33 °C
• Peso molecular: 255.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.954 Da
• Monoisotopic Mass: 254.954 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C 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 1006-47-9, the molecular formula is C9H6IN, and the molecular weight is 255.06 g/mol. InChIKey OBEGSKDGFBFMFJ-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.