Iodocyclopentane - ≥97%, stabilized with Cu , CAS No.1556-18-9

CAS: 1556-18-9 Cat. No.: I167554 Fórmula: C₅H₉I Peso molecular: 196.03 Número EC: 216-311-1

GRADE & PURITY ≥97%, stabilized with Cu

Synonyms

PB46975 | NSC6071 | NSC-6071 | Iodocyclopentane, stabilized with copper | SB12745 | SY019127 | Cyclopentyliodide | EN300-93401 | SCHEMBL172712 | Iodocyclopentane | iodo-cyclopentane | iodocyclo-pentane | AKOS005256987 | MFCD00039446 | EINECS 216-311-1 | P

Storage

Room temperature

Shipped In

Normal

Descripción general

Iodocyclopentane may be used in the synthesis of 4-chloro-3′-((2-cyclopentyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-6- yloxy)methyl)biphenyl-3-carboxylic acid and N-(3-methoxyphenethyl)cyclopentanamine.

Specifications

Sinónimos

PB46975 | NSC6071 | NSC-6071 | Iodocyclopentane, stabilized with copper | SB12745 | SY019127 | Cyclopentyliodide | EN300-93401 | SCHEMBL172712 | Iodocyclopentane | iodo-cyclopentane | iodocyclo-pentane | AKOS005256987 | MFCD00039446 | EINECS 216-311-1 | P

Especificaciones y pureza

≥97%, stabilized with Cu

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754733
• Sonrisas canónicas: C1CCC(C1)I
• IUPAC Name: iodocyclopentane
• InChIKey: PCEBAZIVZVIQEO-UHFFFAOYSA-N
• INCHI: 1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2
• Isómeros SMILES: C1CCC(C1)I
• WGK Alemania: 3
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 196.03
• Reaxy-Rn: 1900558
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine 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

Propiedades químicas y físicas

• Índice de refracción: 1.549
• Punto de inflamación (°F): 125.6 °F
• Punto de inflamación (°C): 52 °C
• Punto de ebullición (°C): 77 °C/45 mmHg
• Peso molecular: 196.030 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.975 Da
• Monoisotopic Mass: 195.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 37.200
• 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

Referencias

1. Qiao Yuan, Yating Gu, Siquan Feng, Xiangen Song, Jiali Mu, Bin Li, Xingju Li, Yutong Cai, Miao Jiang, Li Yan, Jingwei Li, Zheng Jiang, Yingxu Wei, Yunjie Ding.  (2022)  Sulfur-Promoted Hydrocarboxylation of Olefins on Heterogeneous Single-Rh-Site Catalysts.  ACS Catalysis,      [PMID:] [10.1021/acscatal.1c06039]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% 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 1556-18-9, the molecular formula is C5H9I, and the molecular weight is 196.03 g/mol. InChIKey PCEBAZIVZVIQEO-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.