cis-Stilbene - ≥97% , CAS No.645-49-8

CAS: 645-49-8 Cat. No.: S107167 Summenformel: C₁₄H₁₂ Molekulargewicht: 180.25 Beilstein Registry Number: 1616739 EG-Nummer: 211-445-7 PubChem CID: 5356785

QUALITÄT & REINHEIT ≥97%

Synonyms

MLS001050167 | Stilbene, cis- | EINECS 211-445-7 | S0089 | NCGC00091103-02 | SMR001216580 | DTXSID5026049 | A867862 | 1,1'-[(1Z)-ethene-1,2-diyl]dibenzene | cis-1,2-Diphenylethene | STILBENE CIS-FORM | Pgr-iv | A834808 | Z-stilbene | Dibenzal (cis) | 1,1'

Storage

Room temperature

Shipped In

Normal

Übersicht

cis-Stilbene is used as a phosphor and a scintillator. It is mainly used in the produciton of dyes and optical brighteners.

Spezifikationen

Synonyme

MLS001050167 | Stilbene, cis- | EINECS 211-445-7 | S0089 | NCGC00091103-02 | SMR001216580 | DTXSID5026049 | A867862 | 1,1'-[(1Z)-ethene-1,2-diyl]dibenzene | cis-1,2-Diphenylethene | STILBENE CIS-FORM | Pgr-iv | A834808 | Z-stilbene | Dibenzal (cis) | 1,1'

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504763686

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763686

Kanonisches Lächeln

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

IUPAC Name

(Z)-stilbene

InChIKey

PJANXHGTPQOBST-QXMHVHEDSA-N

INCHI

1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-

Isomere SMILES

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

WGK Deutschland

3

RTECS

DA0513600

PubChem CID

5356785

Molekulargewicht

180.25

Beilstein

1616739

Reaxy-Rn

1616739

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Immiscible with water. Miscible with ethanol.
• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.622
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 83-84°C
• Schmelzpunkt (°C): -5°C
• Molekulargewicht: 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