cis-Stilbene - ≥97% , CAS No.645-49-8

CAS: 645-49-8 Cat. No.: S107167 Molecular Weight: 180.25 Beilstein Registry Number: 1616739 EC Number: 211-445-7 PubChem CID: 5356785

GRADE & PURITY ≥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

Overview

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

Specifications

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'

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763686
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763686
• Canonical Smiles: 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-
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\C2=CC=CC=C2
• WGK Germany: 3
• RTECS: DA0513600
• PubChem CID: 5356785
• Molecular Weight: 180.25
• Beilstein: 1616739
• Reaxy-Rn: 1616739

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• 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: 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

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Immiscible with water. Miscible with ethanol.
• Sensitivity: Light sensitive
• Refractive Index: 1.622
• Flash Point(°F): 230 °F
• Flash Point(°C): >110℃
• Boil Point(°C): 83-84°C
• Melt Point(°C): -5°C
• Molecular Weight: 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

References

1. Jun Han, Qunfei Zheng, Cheng Jin, Shanmin Wang, Ying Liu, Yusheng Zhao, Jinlong Zhu.  (2022)  Comparative Study on Properties, Structural Changes, and Isomerization of Cis/Trans-Stilbene under High Pressure.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.2c04865]

2. Zhijun Li, Honghong Li, Dundong Yuan, Leipeng Leng, Mingyang Zhang, Minghui Di, J. Hugh Horton, Jun Wang, Litao Sun, Weiwei Sun.  (2021)  Photoinduction of palladium single atoms supported on defect-containing γ-AlOOH nanoleaf for efficient trans-stilbene epoxidation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.132149]

3. Yicheng Zhong, Yuelin Mao, Shunli Shi, Mingming Wan, Chong Ma, Shuhua Wang, Chao Chen, Dan Zhao, Ning Zhang.  (2019)  Fabrication of Magnetic Pd/MOF Hollow Nanospheres with Double-Shell Structure: Toward Highly Efficient and Recyclable Nanocatalysts for Hydrogenation Reaction.  ACS Applied Materials & Interfaces,      [PMID:31407583] [10.1021/acsami.9b07864]

4. Yuanyuan An, Guoxiu Hao, Xinyue Wang, Li Zhou, Mengyao Wu, Jialong Ma, Lien-Yang Chou.  (2025)  Inherent CeO2 Pore Structure Confined Pd for the Catalytic Performance Regulation.  ACS Applied Materials & Interfaces,      [PMID:39879576] [10.1021/acsami.4c19940]

5. Xilun Zhang, Hongliang Liang, Fei Chang.  (2024)  Magnesium oxide-supported potassium hydride as a transition-metal-free catalyst for the selective hydrogenation of alkynes.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2024.115851]

6. Wei Zhang, Xiangbing Wu, Wenming Li, Haifeng Zhang, Yijun Wang, Jing Xu, Wenhao Li, Yi Qin, Zebin Wu, Gaoran Ge, Shujun Lv, Lu Mao, Liangliang Wang, Dechun Geng.  (2025)  Pinosylvin Inhibits Inflammatory and Osteoclastogenesis via NLRP3 Inflammasome.  Advanced Science,      [PMID:40492417] [10.1002/advs.202501532]