≥98% 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180258 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180258 |
| Canonical Smiles | C1=CC=C(C(=C1)C#N)C#N |
| IUPAC Name | benzene-1,2-dicarbonitrile |
| InChIKey | XQZYPMVTSDWCCE-UHFFFAOYSA-N |
| INCHI | 1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H |
| Isomeric SMILES | C1=CC=C(C(=C1)C#N)C#N |
| WGK Germany | 1 |
| RTECS | TI8575000 |
| UN Number | 3439 |
| Molecular Weight | 128.13 |
| Beilstein | 775028 |
| Reaxy-Rn | 775028 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775028&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 →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2630130 | Certificate of Analysis | Apr 07, 2026 | O104557 |
| C2604002 | Certificate of Analysis | Mar 16, 2026 | O104557 |
| B2222124 | Certificate of Analysis | Dec 10, 2025 | O104557 |
| B2222126 | Certificate of Analysis | Dec 10, 2025 | O104557 |
| B2222128 | Certificate of Analysis | Dec 10, 2025 | O104557 |
| K2009131 | Certificate of Analysis | Sep 03, 2024 | O104557 |
| K2009132 | Certificate of Analysis | Sep 03, 2024 | O104557 |
| D2412331 | Certificate of Analysis | Mar 20, 2024 | O104557 |
| B2222079 | Certificate of Analysis | Jan 26, 2022 | O104557 |
| B23081068 | Certificate of Analysis | Jan 26, 2022 | O104557 |
| B2308395 | Certificate of Analysis | Jan 26, 2022 | O104557 |
| B2521042 | Certificate of Analysis | Jan 26, 2022 | O104557 |
| F2509094 | Certificate of Analysis | Jan 26, 2022 | O104557 |
| Solubility | Soluble in alcohol and ether. |
|---|---|
| Flash Point(°F) | 323.6 °F |
| Flash Point(°C) | 162℃ |
| Melt Point(°C) | 141°C |
| Molecular Weight | 128.130 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.037 Da |
| Monoisotopic Mass | 128.037 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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. Yiyuan Tao, Shiying Fan, Xinyong Li, Jing Yang, Jingang Wang, Guohua Chen. (2023) Interfacial coupling effect promotes selective electrocatalytic oxidation of 5-hydroxymethylfurfural into the value-added products under neutral conditions. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:37866045] [10.1016/j.jcis.2023.10.042] |
| 2. Xian He, Menghao Chen, Jiangbo Lv, Hang Xiao, Hao Wu, Rongtao Zhou, Jianghuai Hu, Ke Zeng, Gang Yang. (2023) A theoretical investigation on the chemical environment of pyrazine-2,3-dicarbonitrile and phthalonitrile: Density functional theory (DFT) calculation and experimental verification. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2023.136117] |
| 3. Xia Xing, Ruili Liu, Shaoqing Liu, Suo Xiao, Yi Xu, Chi Wang, Dongqing Wu. (2016) Surfactant-Assisted Hydrothermal Synthesis of Cobalt Oxide/Nitrogen-Doped Graphene Framework for Enhanced Anodic Performance in Lithium Ion Batteries. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2016.02.096] |
| 4. Ruiqi Qiao, Yingxing Li, Rongchao Zhu, Huazangnaowu Bai, Chuanfang Zhao, Baiyi Zu, Zhenzhen Cai. (2025) Carbonized polymer dots for discrimination of 2,4,6-trinitrotoluene and 2,4,6-trinitrophenol. JOURNAL OF HAZARDOUS MATERIALS, [PMID:40112434] [10.1016/j.jhazmat.2025.137944] |
| 5. Xinlu Bao, Kebin Ye, Zhikang Song, Mingzhu Zhang, Shaohua Wei, Lin Zhou. (2025) From cell membrane to lysosome: Arginine modification boosts the phototoxic index of zinc phthalocyanine for efficient bladder cancer treatment. DYES AND PIGMENTS, [PMID:] [10.1016/j.dyepig.2025.113219] |
| 6. Zhuohua Dai, Guangfa Wang, Fangfang Xiao, Da Lei, Xincun Dou. (2023) Amorphous Copper-Based Nanoparticles with Clusterization-Triggered Phosphorescence for Ultrasensing 2,4,6-Trinitrotoluene. ADVANCED MATERIALS, 35 (24): (2300526). [PMID:36929680] [10.1002/adma.202300526] |
