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

CAS: 628-92-2 Cat. No.: C153473 Peso molecular: 96.17 Beilstein Registry Number: 1900880 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 488181637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181637
• Sonrisas canónicas: C1CCC=CCC1
• IUPAC Name: cycloheptene
• InChIKey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N
• INCHI: 1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
• Isómeros SMILES: C1CCC=CCC1
• WGK Alemania: 1
• Número ONU: 2242
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.458
• Punto de inflamación (°F): 19.4 °F
• Punto de inflamación (°C): -7 °C
• Punto de ebullición (°C): 112-115℃
• Peso molecular: 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

Referencias

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]