1,4-Diethynylbenzene - ≥97% , CAS No.935-14-8

CAS: 935-14-8 Cat. No.: D101575 Molecular Weight: 126.15 EC Number: 628-592-1

GRADE & PURITY ≥97%

Synonyms

Benzene, diethynyl- | BRN 2038365 | SY039661 | FT-0659504 | 1,4-Bis(ethynyl)benzene | Benzene, p-diethynyl- | 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N | 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N.2 | Spectrum_001958 | BCP32320 | STK627447 | STR09668 | EN300-1850842

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Benzene, diethynyl- | BRN 2038365 | SY039661 | FT-0659504 | 1, 4-Bis(ethynyl)benzene | Benzene, p-diethynyl- | 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N | 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N.2 | Spectrum_001958 | BCP32320 | STK627447 | STR09668 | EN300-1850842

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756835
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756835
• Canonical Smiles: C#CC1=CC=C(C=C1)C#C
• IUPAC Name: 1,4-diethynylbenzene
• InChIKey: MVLGANVFCMOJHR-UHFFFAOYSA-N
• INCHI: 1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
• Isomeric SMILES: C#CC1=CC=C(C=C1)C#C
• WGK Germany: 3
• RTECS: CZ5643000
• Molecular Weight: 126.15
• Reaxy-Rn: 2038365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Associated Targets(non-human)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light & Air sensitive
• Melt Point(°C): 94-98°C
• Molecular Weight: 126.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.047 Da
• Monoisotopic Mass: 126.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Qi-Meige Hasi, Yuping Guo, Shanshan Wang, Jiale Yu, Zhichao Han, Chaohu Xiao, Yuhan Zhang, Lihua Chen.  (2022)  Conjugated microporous polymer-coated sponges for effectively removal of oils and trace aromatic pollutions in water.  JOURNAL OF APPLIED POLYMER SCIENCE,  139  (31): (e52731).  [PMID:] [10.1002/app.52731]

2. Zhentao Li, Changjun Hu, Zhuang Hu, Yuanyuan Fu, Zilin Chen.  (2021)  Facile synthesis of novel multifunctional β-cyclodextrin microporous organic network and application in efficient removal of bisphenol A from water.  CARBOHYDRATE POLYMERS,      [PMID:34823797] [10.1016/j.carbpol.2021.118786]

3. Fang Lan, Qin Wang, Hui Chen, Yi Chen, Yuanyuan Zhang, Bowen Huang, Hongbo Liu, Jian Liu, Run Li.  (2020)  Preparation of Hydrophilic Conjugated Microporous Polymers for Efficient Visible Light-Driven Nicotinamide Adenine Dinucleotide Regeneration and Photobiocatalytic Formaldehyde Reduction.  ACS Catalysis,      [PMID:] [10.1021/acscatal.0c03652]

4. Chen Hu, Ying-Chun Gao, Can Zhang, Min Liu, Tong-Mou Geng.  (2020)  The effects of the crosslinking position and degree of conjugation in perylene tetraanhydride bisimide microporous polymers on fluorescence sensing performance.  RSC Advances,  10  (9): (5108-5115).  [PMID:35498320] [10.1039/C9RA10384H]

5. Tong-Mou Geng, Deng-Kun Li, Zong-Ming Zhu, Ye-Bin Guan, Yu Wang.  (2016)  The synthesis and fluorescence detection properties of benzoquinone-based conjugated microporous/mesoporous polymers.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2016.05.022]

6. Longqiang Xiao, Shaojun Cai, Qingye Liu, Liqiong Liao, Xin Guo, Yan Li, Xiangxiang Jia, Feifei Li, Lijian Liu.  (2013)  One-step synthesis of polypyrazoles and self-assembled polypyrazole–copper catalysts for click chemistry.  Polymer Chemistry,  5  (2): (607-613).  [PMID:] [10.1039/C3PY01105D]

7. Yulin Wang, Weitian Han, Yongbiao Hua, Jixuan Chen, Dongmei Liu, Jiaqiuzi Zhang, Jinting Chen, Libo Nie, Xiuzhen Qiu, Huishi Guo.  (2024)  Efficient visual detection and adsorption of tetracyclines using zinc porphyrin-based microporous organic networks.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126491]

8. Xue Li, Meng-Yao Wang, Yu Wang, Wen-Zhi Yang, Cheng-Xiong Yang.  (2024)  Fabrication of amino- and hydroxyl dual-functionalized magnetic microporous organic network for extraction of zearalenone from traditional Chinese medicine prior to the HPLC determination.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38663319] [10.1016/j.chroma.2024.464915]

9. Liao Zhengzheng, Hu Jinfang, Li Zhentao.  (2024)  Monomer-mediated growth of β-cyclodextrin-based microporous organic network as stationary phase for capillary electrochromatography.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:39230749] [10.1007/s00216-024-05514-3]

10. Han D., Wang J., Yang H., Ran T., Lu H., Wang L., Yan Z..  (2024)  Solvothermal Synthesis of Carbon Dots with Alkynyl Ligand for pH and Resveratrol Detection.  RUSSIAN JOURNAL OF GENERAL CHEMISTRY,  94  (7): (1710-1719).  [PMID:] [10.1134/S1070363224070144]

11. Longzi Liang, Haojun Sun, Yixuan Wu, Guangyu Liu, Lihua Li, Xiang Chen, Yuqing Zhang.  (2024)  Surface-Enhanced Raman Scattering-Encoded Gold Nanostars for Multiplexed Steganographic Anticounterfeiting Labels.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c03742]

12. Zhiquan Jin, Anhua Jiang, Linye Shen, Meixia Shi, Tao Zeng.  (2025)  Synergistic piezo-photocatalysis enabled by BaTiO3/pDEB hybrids for efficient organic pollutant degradation.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2025.05.050]

13. Zhenyu Zhang, Chengwei Gao, Yuxin Shao, Qing Jiao, Linling Tan, Shiliang Kang, Ying Xie, Xiaochang Yu, Shixun Dai, Gang Zhou, Zhiyu Wang, Changgui Lin.  (2026)  Tuning Short-wavelength Cutoff in Chalcogenide Hybrid Inorganic/Organic Polymers Glass via π-conjugated Monomers.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202503092]