2-(4-Bromophenyl)-1,1-diphenylethylene - ≥98% , CAS No.18648-66-3

CAS: 18648-66-3 Cat. No.: B405160 Formule: C₂₀H₁₅Br Poids moléculaire: 335.24

QUALITÉ & PURETÉ ≥98%

Synonyms

C20H15Br | FT-0688393 | MFCD01790865 | Benzene, 1-bromo-4-(2,2-diphenylethenyl)- | 1-bromo-4-(2,2-diphenylethenyl)benzene | (2-(4-bromophenyl)ethene-1,1-diyl)dibenzene | AM20030226 | HUCFDUOIMSRYAA-UHFFFAOYSA-N | DS-14551 | A851201 | DTXSID50348126 | Ethy

Storage

Room temperature

Spécifications

Synonymes

C20H15Br | FT-0688393 | MFCD01790865 | Benzene, 1-bromo-4-(2,2-diphenylethenyl)- | 1-bromo-4-(2,2-diphenylethenyl)benzene | (2-(4-bromophenyl)ethene-1,1-diyl)dibenzene | AM20030226 | HUCFDUOIMSRYAA-UHFFFAOYSA-N | DS-14551 | A851201 | DTXSID50348126 | Ethy

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488190821

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190821

Sourires canoniques

C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Br)C3=CC=CC=C3

IUPAC Name

1-bromo-4-(2,2-diphenylethenyl)benzene

InChIKey

HUCFDUOIMSRYAA-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Poids moléculaire

335.24

Reaxy-Rn

2273153

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2273153&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 Styrenes Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Styrene - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl 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: Soluble in Toluene
• Point de fusion (°C): 79 °C
• Poids moléculaire: 335.200 g/mol
• XLogP3: 6.800
• 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: 306.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18648-66-3, the molecular formula is C20H15Br, and the molecular weight is 335.24 g/mol. InChIKey HUCFDUOIMSRYAA-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.