trans-Stilbene - ≥98%(GC) , CAS No.103-30-0

CAS: 103-30-0 Cat. No.: T161734 分子式: C₁₄H₁₂ 分子量: 180.25 Beilstein Registry Number: 5(2)537 EC番号: 203-098-5 PubChem CID: 638088

GRADE & PURITY ≥98%(GC)

Synonyms

Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)- | CHEBI:36007 | LS-14271 | 1,2-Diphenylethene | Toluylene | TRANS-1,2-DIPHENYLETHYLENE [HSDB] | .alpha.,.beta.-Diphenylethylene | 1,1'-(1,2-Ethenediyl)dibenzene | 3FA7NW80A0 | E-stilbene | trans-.alpha.,.beta.-Diph

Storage

Room temperature

Shipped In

Normal

概要

Application

trans-Stilbene is used in the manufacturing of dye lasers, optical brighteners, non-steroidal synthetic estrogens such as diethylstilbestrol, fosfestrol and dienestrol. It is used as a phosphor and a scintillator. It is also involved in transition metal catalyzed asymmetric epoxidation and dihydroxylation. Further, it is used as raw material in organic synthesis.

Specifications

同義語

Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)- | CHEBI:36007 | LS-14271 | 1,2-Diphenylethene | Toluylene | TRANS-1,2-DIPHENYLETHYLENE [HSDB] | .alpha.,.beta.-Diphenylethylene | 1,1'-(1,2-Ethenediyl)dibenzene | 3FA7NW80A0 | E-stilbene | trans-.alpha.,.beta.-Diph

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: 488190872
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488190872
• カノニカル・スマイル: C1=CC=C(C=C1)C=CC2=CC=CC=C2
• IUPAC Name: (E)-stilbene
• InChIKey: PJANXHGTPQOBST-VAWYXSNFSA-N
• INCHI: 1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
• 異性体SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• RTECS: WJ4926500
• PubChem CID: 638088
• UN番号: 3077
• 包装グループ: III
• 分子量: 180.25
• Beilstein: 5(2)537
• Reaxy-Rn: 1616740

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: Styrenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - 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: stilbene

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in benzene and ether. Insoluble in water.
• 沸点（°C）: 305-307 °C/744 mmHg
• 融点（°C）: 123-126°C
• 分子量: 180.240 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 180.094 Da
• Monoisotopic Mass: 180.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 148.000
• 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