≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1-Ethynyl-4-fluorobenzene (pFAB) is a fluorobenzene derivative. Trianionic pincer alkylidyne complex catalyzed polymerization of 1-ethynyl-4-fluorobenzene has been reported.The surface of the iodophenyl-terminated organic monolayers has been modified by Sonogashira coupling of the iodophenyl groups found on the surface with pFAB. Dimerization catalyzed by Y[N(TMS)2]3 and 4-chloroaniline gave exclusive formation of one of three possible enediynes in excellent yield.
| Canonical Smiles | C#CC1=CC=C(C=C1)F |
|---|---|
| IUPAC Name | 1-ethynyl-4-fluorobenzene |
| InChIKey | QXSWHQGIEKUBAS-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
| Isomeric SMILES | C#CC1=CC=C(C=C1)F |
| WGK Germany | 3 |
| UN Number | 1325 |
| Packing Group | III |
| Molecular Weight | 120.12 |
| Beilstein | 1099285 |
| Reaxy-Rn | 1099285 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099285&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Aryl fluorides Acetylides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Aryl halide - Aryl fluoride - Acetylide - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2625453 | Certificate of Analysis | May 09, 2026 | E115545 |
| E2625455 | Certificate of Analysis | May 09, 2026 | E115545 |
| E2625456 | Certificate of Analysis | May 09, 2026 | E115545 |
| E2625457 | Certificate of Analysis | May 09, 2026 | E115545 |
| D2614110 | Certificate of Analysis | Apr 20, 2026 | E115545 |
| G2408156 | Certificate of Analysis | Apr 03, 2026 | E115545 |
| K2119222 | Certificate of Analysis | May 15, 2025 | E115545 |
| K2119214 | Certificate of Analysis | May 15, 2025 | E115545 |
| G2504096 | Certificate of Analysis | May 15, 2025 | E115545 |
| D2501068 | Certificate of Analysis | Apr 11, 2025 | E115545 |
| E2516809 | Certificate of Analysis | Jul 16, 2024 | E115545 |
| G2408157 | Certificate of Analysis | Apr 12, 2024 | E115545 |
| I2406176 | Certificate of Analysis | Aug 15, 2023 | E115545 |
| H1517019 | Certificate of Analysis | Mar 10, 2023 | E115545 |
| H2006055 | Certificate of Analysis | Jun 14, 2022 | E115545 |
| H2006057 | Certificate of Analysis | Jun 14, 2022 | E115545 |
| B2301563 | Certificate of Analysis | May 22, 2021 | E115545 |
| Solubility | Soluble in chloroform, diethyl ether, acetone, dichloromethane, hexane and ethanol. Highly soluble in toluene. Insoluble in water. |
|---|---|
| Sensitivity | heat & air sensitive |
| Refractive Index | 1.516 |
| Flash Point(°F) | 84.2 °F |
| Flash Point(°C) | 29°C |
| Boil Point(°C) | 55-56°C |
| Melt Point(°C) | 26-27°C |
| Molecular Weight | 120.120 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 120.038 Da |
| Monoisotopic Mass | 120.038 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| 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 |
| 1. Gao-yu Zhao, Shan Hu, Shu-chang Luo, Juan Lei, Yanfen Wei. (2023) Electronic effect of substituents regulates the photocatalytic activity of PhC2Cu. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2023.169885] |
| 2. Qingxia Zhu, Xiaowen Lu, Siqi Ji, Honghong Li, Jun Wang, Zhijun Li. (2021) Fully exposed cobalt nanoclusters anchored on nitrogen-doped carbon synthesized by a host-guest strategy for semi-hydrogenation of phenylacetylene. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2021.11.021] |
| 3. Zhijun Li, Qinghui Ren, Xuexia Wang, Wenxing Chen, Leipeng Leng, Mingyang Zhang, J. Hugh Horton, Bo Liu, Qian Xu, Wei Wu, Jun Wang. (2021) Highly Active and Stable Palladium Single-Atom Catalyst Achieved by a Thermal Atomization Strategy on an SBA-15 Molecular Sieve for Semi-Hydrogenation Reactions. ACS Applied Materials & Interfaces, [PMID:33412851] [10.1021/acsami.0c17570] |
| 4. 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] |
| 5. Aonan Zhu, Shu Niu, Ning Zhao, Zhao Zhang, Wei Xie. (2024) Modulating Copper Ladder Spacing in Copper Phenylacetylide for Enhanced Photocatalysis via Substituent Control. ACS Applied Materials & Interfaces, [PMID:39269917] [10.1021/acsami.4c11423] |
