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

CAS: 1556-18-9 Cat. No.: I167554 分子式: C₅H₉I 分子量: 196.03 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%, stabilized with Cu

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 504754733
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754733
• カノニカル・スマイル: C1CCC(C1)I
• IUPAC Name: iodocyclopentane
• InChIKey: PCEBAZIVZVIQEO-UHFFFAOYSA-N
• INCHI: 1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2
• 異性体SMILES: C1CCC(C1)I
• WGKドイツ: 3
• UN番号: 1993
• 包装グループ: III
• 分子量: 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
    • 分類 Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.549
• 引火点（°F）: 125.6 °F
• 引火点（°C）: 52 °C
• 沸点（°C）: 77 °C/45 mmHg
• 分子量: 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

参考文献

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]

よくある質問

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.