≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2-8℃で保管、アルゴン充填 Ships 濡れた氷 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-エチニル安息香酸は、グルタミン酸ベースの樹枝状らせんポリ（フェニルアセチレン）を合成するための前駆体であるN-（4-エチニルフェニルカルボニル）L-グルタミン酸ジエチルエステルの合成に使用することができる。また、様々な環状芳香族炭化水素置換基に結合した亜鉛ポルフィリンの調製にも使用でき、色素増感太陽電池（DSSC）の光増感剤として機能する可能性があります。この製品は以前CBR01612として掲載されていました。
| パブケム・シド | 504759403 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504759403 |
| カノニカル・スマイル | C#CC1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-ethynylbenzoic acid |
| InChIKey | SJXHLZCPDZPBPW-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11) |
| 異性体SMILES | C#CC1=CC=C(C=C1)C(=O)O |
| 分子量 | 146.14 |
| Reaxy-Rn | 2325393 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2325393&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 |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 E1923035 | Certificate of Analysis | Aug 13, 2026 | E137978 |
| E1917095 | Certificate of Analysis | Aug 13, 2026 | E137978 |
| C2112030 | Certificate of Analysis | Jun 15, 2026 | E137978 |
| C2112032 | Certificate of Analysis | Jun 15, 2026 | E137978 |
| H2203582 | Certificate of Analysis | Feb 04, 2026 | E137978 |
| H2203583 | Certificate of Analysis | Feb 04, 2026 | E137978 |
| J2022251 | Certificate of Analysis | Aug 12, 2022 | E137978 |
| 感度 | air sensitive |
|---|---|
| 融点（°C） | 200°C |
| 分子量 | 146.140 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.037 Da |
| Monoisotopic Mass | 146.037 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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. Xueting Lu, Yunli Liu, Dongxu Lu, Anqiu Xu, Yuexin Cao, Xiacong Zhang, Wen Li, Afang Zhang. (2023) Thermoresponsive Dendronized Poly(phenylacetylene)s via Dynamic Covalent Chemistry Showing Multiple-Responsive Chirality. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.3c01405] |
| 2. Jinbao Xu, Weiguo Liang, Jie Zhang, Zhixian Dong, Caihong Lei. (2022) Synthesis of side-chain functional Poly(ε-caprolactone) via the versatile and robust organo-promoted esterification reaction. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2022.111526] |
| 3. Cheng Yuan, Qiqi Wu, Ke-Xin Xu, Xing-Shi Liu, Hao Lou, Yi-Tong Xu, Zheng Li, Yuanyuan Meng, Tan Li, Rui Ban, Guangxu Chen, Wei-Wei Zhao. (2024) Metal-organic polymer enables efficient organic photoelectrochemical transistor biosensing. BIOSENSORS & BIOELECTRONICS, [PMID:38688230] [10.1016/j.bios.2024.116346] |
