Cycloheptene - ≥96%(GC) , CAS No.628-92-2

CAS: 628-92-2 Cat. No.: C153473 分子式: C₇H₁₂ 分子量: 96.17 Beilstein Registry Number: 1900880 EC番号: 211-060-4

GRADE & PURITY ≥96%(GC)

Synonyms

DTXSID4074560 | 1-Cycloheptene # | FT-0624173 | AKOS009156390 | KRY3SY05AH | Cycloheptene [UN2242] [Flammable liquid] | UNII-KRY3SY05AH | CYCLOHEPTENE | NSC5162 | NSC-5162 | Cycloheptene(Z) | BP-21367 | NSC 5162 | Cycloheptene, 97% | (Z)-Cycloheptene | E

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

概要

Product description：

Kinetics of gas-phase reactions of cycloheptene with NO3 radicals and O3 has been investigated. 

Application：

Cycloheptene was used in one-pot synthesis of 1,2/3-triols from the allylichydroperoxides catalyzed by zeolite-confined osmium(0) nanoclusters.

Specifications

同義語

DTXSID4074560 | 1-Cycloheptene # | FT-0624173 | AKOS009156390 | KRY3SY05AH | Cycloheptene [UN2242] [Flammable liquid] | UNII-KRY3SY05AH | CYCLOHEPTENE | NSC5162 | NSC-5162 | Cycloheptene(Z) | BP-21367 | NSC 5162 | Cycloheptene, 97% | (Z)-Cycloheptene | E

仕様と純度

≥96%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%(GC)

名前と識別子

• パブケム・シド: 488181637
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181637
• カノニカル・スマイル: C1CCC=CCC1
• IUPAC Name: cycloheptene
• InChIKey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N
• INCHI: 1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
• 異性体SMILES: C1CCC=CCC1
• WGKドイツ: 1
• UN番号: 2242
• 包装グループ: II
• 分子量: 96.17
• Beilstein: 1900880
• Reaxy-Rn: 1900884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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: 1.458
• 引火点（°F）: 19.4 °F
• 引火点（°C）: -7 °C
• 沸点（°C）: 112-115℃
• 分子量: 96.170 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 96.0939 Da
• Monoisotopic Mass: 96.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.400
• 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. Junjian Xie, Xiangwen Zhang, Chengxiang Shi, Lun Pan, Fang Hou, Genkuo Nie, Jiawei Xie, Qing Liu, Ji-Jun Zou.  (2019)  Self-photosensitized [2 + 2] cycloaddition for synthesis of high-energy-density fuels.  Sustainable Energy & Fuels,  4  (2): (911-920).  [PMID:] [10.1039/C9SE00863B]

2. Yan Chen, Guojun Lv, Xuyang Zou, Shihao Su, Jiangzhang Wang, Chaoyi Zhou, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2024)  High-electrophilic (SiO)2Nb(OH)(=O) sites confined in silanol defects over Nb-Beta zeolite for efficient cyclic alkene epoxidation reactions.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38490038] [10.1016/j.jcis.2024.03.076]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% 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. Refrigerated storage is required to maintain the specified shelf life.

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 628-92-2, the molecular formula is C7H12, and the molecular weight is 96.17 g/mol. InChIKey ZXIJMRYMVAMXQP-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.