trans-1,2-Dibenzoylethylene - ≥98% , CAS No.959-28-4

CAS: 959-28-4 Cat. No.: T162168 Summenformel: C₁₆H₁₂O₂ Molekulargewicht: 236.27 Beilstein Registry Number: 743958 PubChem CID: 735960

GRADE & PURITY ≥98%

Synonyms

Ethylene,2-dibenzoyl- | trans-1,4-Diphenyl-2-butene-1,4-dione | 2-Butene-1,4-dione,1,4-diphenyl-,(2E)- | NSC 28072 | trans-1.4-Diphenyl-2-butene-1.4-dione | DTXSID70883625 | trans-1,4-dione | NSC1983 | NSC-1983 | 2-Butene-1,4-dione, 1,4-diphenyl-, (2E)- |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethylene,2-dibenzoyl- | trans-1,4-Diphenyl-2-butene-1,4-dione | 2-Butene-1,4-dione,1,4-diphenyl-,(2E)- | NSC 28072 | trans-1.4-Diphenyl-2-butene-1.4-dione | DTXSID70883625 | trans-1,4-dione | NSC1983 | NSC-1983 | 2-Butene-1,4-dione, 1,4-diphenyl-, (2E)- |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488191315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191315

Kanonisches Lächeln

C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2

IUPAC Name

(E)-1,4-diphenylbut-2-ene-1,4-dione

InChIKey

WYCXGQSQHAXLPK-VAWYXSNFSA-N

INCHI

1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+

Isomere SMILES

C1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=CC=C2

WGK Deutschland

3

RTECS

EM7000000

PubChem CID

735960

Molekulargewicht

236.27

Beilstein

743958

Reaxy-Rn

743958

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Schmelzpunkt (°C): 103-108°C
• Molekulargewicht: 236.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 236.084 Da
• Monoisotopic Mass: 236.084 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 959-28-4, the molecular formula is C16H12O2, and the molecular weight is 236.27 g/mol. InChIKey WYCXGQSQHAXLPK-VAWYXSNFSA-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.