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

CAS: 103-30-0 Cat. No.: T161734 Fórmula: C₁₄H₁₂ Peso molecular: 180.25 Beilstein Registry Number: 5(2)537 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190872
• Sonrisas canónicas: 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+
• Isómeros SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• RTECS: WJ4926500
• PubChem CID: 638088
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 180.25
• Beilstein: 5(2)537
• Reaxy-Rn: 1616740

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Amorphotheca resinae (75 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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PC-12 (7051 Activities)

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Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)

Discover Target: Nqo1

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in benzene and ether. Insoluble in water.
• Punto de ebullición (°C): 305-307 °C/744 mmHg
• Punto de fusión (°C): 123-126°C
• Peso molecular: 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