3-Bromocyclohexene - ≥90%(GC) , CAS No.1521-51-3

CAS: 1521-51-3 Cat. No.: B152008 Summenformel: C₆H₉Br Molekulargewicht: 161.04 Beilstein Registry Number: 635953 EG-Nummer: 629-616-3

GRADE & PURITY ≥90%(GC)

Synonyms

DTXSID90934426 | 2-Cyclohexen-1-yl bromide | AKOS015919783 | J-512099 | 3-Bromo-1-cyclohexene | 3-Bromocyclohexene | 3-bromo-cyclohexene | EN300-67511 | MFCD00013775 | LS-13142 | 1-bromocyclohex-2-ene | Cyclohexene, 3-bromo- | 1,2,3,4-Tetrahydrobromobenze

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

3-Bromocyclohexene was used in the synthesis of N-tert-butoxycarbonyl-O-cyclohexyl-L-tyrosine. It was also used in the synthesis of enantiopure cyclohexitols such as muco-quercitol, D-chiro-inocitol and allo-inocitol.

Specifications

Synonyme

DTXSID90934426 | 2-Cyclohexen-1-yl bromide | AKOS015919783 | J-512099 | 3-Bromo-1-cyclohexene | 3-Bromocyclohexene | 3-bromo-cyclohexene | EN300-67511 | MFCD00013775 | LS-13142 | 1-bromocyclohex-2-ene | Cyclohexene, 3-bromo- | 1,2,3,4-Tetrahydrobromobenze

Spezifikationen & Reinheit

≥90%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥90%(GC)

Namen und Kennungen

• Pubchem Sid: 504757105
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757105
• Kanonisches Lächeln: C1CC=CC(C1)Br
• IUPAC Name: 3-bromocyclohexene
• InChIKey: AJKDUJRRWLQXHM-UHFFFAOYSA-N
• INCHI: 1S/C6H9Br/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
• Isomere SMILES: C1CC=CC(C1)Br
• WGK Deutschland: 3
• Molekulargewicht: 161.04
• Beilstein: 635953
• Reaxy-Rn: 635953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635953&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Brechungsindex: 1.528
• Flammpunkt (°F): 129.2 °F
• Flammpunkt (°C): 54°C
• Siedepunkt (°C): 82°C/40mmHg(lit.)
• Molekulargewicht: 161.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.989 Da
• Monoisotopic Mass: 159.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Yu-Zhen Xu, Yu-Le Wang, Yu-Dong Shan, Song-Hai Wu, Yong Liu, Xu Han.  (2024)  Relay Catalysis for Epoxidation of Cyclohexene by Mg–Mo Bimetallic Oxides and O2 under Solvent-Free Conditions.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01558]

2. Yu-Le Wang, Songhai Wu, Yu-Zhen Xu, Yu-Dong Shan, Yong Liu, Xu Han.  (2025)  Importance of surface peroxo species in the epoxidation of cyclohexene by Mo-doped TS-1 and O2 under solvent-free conditions.  Catalysis Science & Technology,      [PMID:] [10.1039/D5CY01095K]

Häufig gestellte Fragen

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

This product is supplied at ≥90% 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 1521-51-3, the molecular formula is C6H9Br, and the molecular weight is 161.04 g/mol. InChIKey AJKDUJRRWLQXHM-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.