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

CAS: 1607-57-4 Cat. No.: B132265 Formule: C₂₀H₁₅Br Poids moléculaire: 335.24 Beilstein Registry Number: 5722 Numéro CE: 216-531-8

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

(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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488182109

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

RTECS

KU8850000

Poids moléculaire

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
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility in Toluene almost transparency
• Point de fusion (°C): 114-118°C
• Poids moléculaire: 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