Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C#N)O |
|---|---|
| IUPAC Name | 4-hydroxybenzonitrile |
| InChIKey | CVNOWLNNPYYEOH-UHFFFAOYSA-N |
| INCHI | 1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H |
| Isomeric SMILES | C1=CC(=CC=C1C#N)O |
| WGK Germany | 3 |
| RTECS | DI4375000 |
| Molecular Weight | 119.12 |
| Beilstein | 386130 |
| Reaxy-Rn | 386130 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386130&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | phenols |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 16, 2025 | H115123 | |
| Certificate of Analysis | Dec 13, 2024 | H115123 | |
| Certificate of Analysis | Dec 13, 2024 | H115123 | |
| Certificate of Analysis | Dec 13, 2024 | H115123 | |
| Certificate of Analysis | Dec 05, 2024 | H115123 | |
| Certificate of Analysis | Nov 10, 2022 | H115123 |
| Boil Point(°C) | 145°C |
|---|---|
| Melt Point(°C) | 110°C-113°C |
| Molecular Weight | 119.120 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 119.037 Da |
| Monoisotopic Mass | 119.037 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 127.000 |
| 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. Lei Yuan, Leihao Zhang, Guilin Li, Shaojuan Zeng, Qizhou Xue, Chongyang Jiang, Xiangping Zhang. (2023) Phenoxy-Nitrile Bifunctional Ionic Liquid for Efficient Electroreduction of CO2 to Oxalate. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.3c02876] |
| 2. Biao Yang, Xinbo Yang, Yuchuan Li, Siping Pang. (2023) The Design, Synthesis and Application of Nitrogen Heteropolycyclic Compounds with UV Resistance Properties. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24 (9): (7882). [PMID:37175588] [10.3390/ijms24097882] |
| 3. Shuai Zhang, Qiusha Li, Jiajia Ye, Hongyi Sun, Xiaobo Liu. (2022) Probing the copolymerization of alkynyl and cyano groups using monocyclic benzoxazine as model compound. POLYMER, [PMID:] [10.1016/j.polymer.2022.124932] |
| 4. Bingbing Leng, Jiayu Yang, Chunhui Zhu, Zhipeng Wang, Chengying Shi, Yang Liu, Hongyan Zhang, Wenge Xu, Baijun Liu. (2021) Synthesis of a Cyclophosphazene Derivative Containing Multiple Cyano Groups for Electron-Beam Irradiated Flame-Retardant Materials. Polymers, 13 (20): (3460). [PMID:34685219] [10.3390/polym13203460] |
| 5. Chun-rong Zhu, Jia-ping Xie, Hong-rong Mou, Zhen-jie Huang, Qian Tang, Cheng-bin Gong, Xiang-kai Fu. (2019) Dual-colored 4,4′,4′′,4′′′-(cyclobutane-1,2,3,4-tetrayl)-tetrabenzoate electrochromic materials with large optical contrast and coloration efficiency. NEW JOURNAL OF CHEMISTRY, 43 (34): (13654-13661). [PMID:] [10.1039/C9NJ03352A] |
| 6. Jianqiang Zhao, Yuyun Liu, Yanlei Yu. (2014) Dual-responsive inverse opal films based on a crosslinked liquid crystal polymer containing azobenzene. Journal of Materials Chemistry C, 2 (48): (10262-10267). [PMID:] [10.1039/C4TC01825G] |
| 7. Jie Chen, Huiyao Huang, Wangquan Gong, Yi Chen, Rong Dong, Limei Ren, Ting Qiu. (2024) Fine-Tuning Electron–Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalytic Activity and Selectivity. LANGMUIR, [PMID:38623907] [10.1021/acs.langmuir.4c00650] |
| 8. Li Zhigang, Liu Xuzhuo, Wang Chunlong, Song Hanbing, Zhang Jie. (2024) Synthesis of novel photothermal nanomaterial ZnSe-PAM@1 and its treatment of knee osteoarthritis cells. CHEMICAL PAPERS, 78 (14): (7943-7950). [PMID:] [10.1007/s11696-024-03646-5] |
| 9. Ge-liang Xie, Yang Cao, Sheng-ren Li, Qian-qian Lu, Wei Chen, Shuai Gao, Wei Qiu, Chao He, Zhen Fang, Lujiang Xu. (2025) BDE-Driven Sustainable Synthesis of Lignin-Derived Hydroxybenzonitriles via Tandem Green Cyanation and Gas-Phase Hydrodeoxygenation. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.5c04554] |
| 10. Junqin Liu, Pingxiao Wu, ShanShan Yang, Saeed Rehman, Zubair Ahmed, Nengwu Zhu, Zhi Dang, Zehua Liu. (2019) A photo-switch for peroxydisulfate non-radical/radical activation over layered CuFe oxide: Rational degradation pathway choice for pollutants. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2019.118232] |
| 11. Ganchang Lei, Jiayin Wang, Xinhui Liu, Shiping Wang, Lijuan Shen, Shijing Liang, Yingying Zhan, Lilong Jiang. (2025) Atom-Economical Insertion of Hydrogen and Sulfur into Carbon-Nitrogen Triple Bonds Using H2S via Synergistic C-N Sites. EES Catalysis, [PMID:] [10.1039/D5EY00110B] |
| 12. Huanxin Ma, Yalan Chen, Yue Wang, Chunhua Feng, Zhi Dang, Shishu Zhu, Ke Sun. (2025) Synergistic Photochemistry of Dissolved Black Carbon Mediated by Iron: A Critical Pathway for Enhancing Hydroxyl Radical Generation. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:41195526] [10.1021/acs.est.5c10858] |
| 13. Dachuan Zhang, Ni Yang, Yang Zhou, Haomin Yu, Jingning Cao, Minghao Wang, Si Wu. (2025) Visible-light-responsive gels with long-lasting functions via combining metallopolymers and coordination solvents with reduced volatilization. Polymer Chemistry, [PMID:] [10.1039/D5PY01126D] |
| 14. Han Qu, Guofei Li, Zhiwen Cheng, Wanji Zhou, Chao Zhang. (2026) Highly efficient lithium separation from sodium-rich mother liquor enabled by novel phenylazophenol derivatives. Journal of Water Process Engineering, [PMID:] [10.1016/j.jwpe.2026.110119] |
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