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

CAS: 1521-51-3 Cat. No.: B152008 分子式: C₆H₉Br 分子量: 161.04 Beilstein Registry Number: 635953 EC番号: 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

概要

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

同義語

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

仕様と純度

≥90%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

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

≥90%(GC)

名前と識別子

パブケム・シド

504757105

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757105

カノニカル・スマイル

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

異性体SMILES

C1CC=CC(C1)Br

WGKドイツ

3

分子量

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
    • 分類 Organobromides

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

化学的性質と物理的性質

• 感度: Light Sensitive,Moisture Sensitive,Heat Sensitive
• 屈折率: 1.528
• 引火点（°F）: 129.2 °F
• 引火点（°C）: 54°C
• 沸点（°C）: 82°C/40mmHg(lit.)
• 分子量: 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

よくある質問

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.