Bromotriphenylethylene - ≥98%(GC) , CAS No.1607-57-4

CAS: 1607-57-4 Cat. No.: B132265 分子式: C₂₀H₁₅Br 分子量: 335.24 Beilstein Registry Number: 5722 EC番号: 216-531-8

グレード＆純度 ≥98%(GC)

Synonyms

(2-Bromo-1,2-diphenylvinyl)benzene | 1,2-Triphenylvinyl bromide | SCHEMBL1049697 | 1,2,2-Triphenylvinyl bromide; 1-Bromo-1,2,2-triphenylethene; 1-Bromo-1,2,2-triphenylethylene; 1-Bromotriphenylethylene | Stilbene, .alpha.'-bromo-.alpha.-phenyl- | (2-Bromo

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(2-Bromo-1,2-diphenylvinyl)benzene | 1,2-Triphenylvinyl bromide | SCHEMBL1049697 | 1,2,2-Triphenylvinyl bromide; 1-Bromo-1,2,2-triphenylethene; 1-Bromo-1,2,2-triphenylethylene; 1-Bromotriphenylethylene | Stilbene, .alpha.'-bromo-.alpha.-phenyl- | (2-Bromo

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488182109

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182109

カノニカル・スマイル

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3

IUPAC Name

(1-bromo-2,2-diphenylethenyl)benzene

InChIKey

VUQVJIUBUPPCDB-UHFFFAOYSA-N

INCHI

1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H

異性体SMILES

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3

RTECS

KU8850000

分子量

335.24

Beilstein

5722

Reaxy-Rn

2052962

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052962&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Vinyl bromides Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• 溶解度: Solubility in Toluene almost transparency
• 融点（°C）: 114-118°C
• 分子量: 335.200 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 334.036 Da
• Monoisotopic Mass: 334.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 319.000
• 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