Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated Ships FedEx DG Service 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180701 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180701 |
| Canonical Smiles | C(CCC#N)CC#N |
| IUPAC Name | hexanedinitrile |
| InChIKey | BTGRAWJCKBQKAO-UHFFFAOYSA-N |
| INCHI | 1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2 |
| Isomeric SMILES | C(CCC#N)CC#N |
| WGK Germany | 1 |
| RTECS | AV2625000 |
| UN Number | 2205 |
| Packing Group | III |
| Molecular Weight | 108.14 |
| Beilstein | 1740005 |
| Reaxy-Rn | 1740005 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740005&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 | Oct 13, 2025 | N104487 | |
| Certificate of Analysis | Jul 31, 2024 | N104487 | |
| Certificate of Analysis | Jul 31, 2024 | N104487 | |
| Certificate of Analysis | Jul 31, 2024 | N104487 | |
| Certificate of Analysis | Jul 31, 2024 | N104487 | |
| Certificate of Analysis | Jul 31, 2024 | N104487 | |
| Certificate of Analysis | Apr 29, 2024 | N104487 | |
| Certificate of Analysis | Apr 29, 2024 | N104487 | |
| Certificate of Analysis | Apr 29, 2024 | N104487 | |
| Certificate of Analysis | Apr 29, 2024 | N104487 | |
| Certificate of Analysis | Jan 18, 2024 | N104487 | |
| Certificate of Analysis | Jan 12, 2024 | N104487 | |
| Certificate of Analysis | Jan 12, 2024 | N104487 | |
| Certificate of Analysis | Jan 12, 2024 | N104487 | |
| Certificate of Analysis | Jan 12, 2024 | N104487 | |
| Certificate of Analysis | Jan 12, 2024 | N104487 | |
| Certificate of Analysis | Feb 15, 2023 | N104487 | |
| Certificate of Analysis | Feb 15, 2023 | N104487 | |
| Certificate of Analysis | Feb 15, 2023 | N104487 | |
| Certificate of Analysis | Feb 15, 2023 | N104487 | |
| Certificate of Analysis | Feb 15, 2023 | N104487 | |
| Certificate of Analysis | Feb 13, 2023 | N104487 | |
| Certificate of Analysis | Oct 13, 2022 | N104487 |
| Solubility | Slightly soluble in water, ether and alcohol. |
|---|---|
| Sensitivity | Hygroscopic |
| Refractive Index | 1.437-1.439 |
| Flash Point(°F) | 325.4 °F |
| Flash Point(°C) | 163℃ |
| Boil Point(°C) | 295°C |
| Melt Point(°C) | 1-3°C |
| Molecular Weight | 108.140 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 108.069 Da |
| Monoisotopic Mass | 108.069 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 113.000 |
| 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. Qingshuai Xu, Xuejun Lai, Gaige Zhang, Tan Li, Yongcai Qiu. (2023) Tailoring the passivation layer on lithium metal anode and aluminum collector by regulating the solvation structure to enhance the long-term cycling of lithium metal batteries. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.148021] |
| 2. Jie Huang, Wenhao Yang, Sen Zhang, Jingjie Luo, Changhai Liang. (2023) Alkali-free hydrogenation of adiponitrile to hexamethylenediamine by Co@C skeleton strengthened with carbon nanotubes. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2023.113585] |
| 3. Shujian Zhang, Hongmo Zhu, Lanfang Que, Xuning Leng, Lei Zhao, Zhenbo Wang. (2023) Effect of Carrier Film Phase Conversion Time on Polyacrylate Polymer Electrolyte Properties in All-Solid-State LIBs. Batteries-Basel, 9 (9): (471). [PMID:] [10.3390/batteries9090471] |
| 4. Guang-Rong Ding, Yao-Feng Wang, Guo-Yi Duan, Tao Guo, Xiao-Feng Xu, Chun-Shan Li, Bao-Hua Xu. (2022) Chemoselective nitrilation of dimethyl adipate with ammonia over carbon encapsulated WOx catalysts under continuous flow conditions. Catalysis Science & Technology, 12 (12): (3982-3991). [PMID:] [10.1039/D2CY00733A] |
| 5. Ping Zhang, Shi-You Li, Xiao-Hong Wei, Chun-Lei Li, Shu-Juan Meng, Xiao-Ling Cui, Qiong Su, Dong-Ni Zhao. (2021) Boosting the comprehensive performance for a Co-free high-voltage system with a multi-component nitrile. NEW JOURNAL OF CHEMISTRY, 45 (44): (20681-20689). [PMID:] [10.1039/D1NJ04080D] |
| 6. Tianle Zheng, Jianwei Xiong, Bingying Zhu, Xiaotang Shi, Ya-Jun Cheng, Hongbin Zhao, Yonggao Xia. (2021) From −20 °C to 150 °C: a lithium secondary battery with a wide temperature window obtained via manipulated competitive decomposition in electrolyte solution. Journal of Materials Chemistry A, 9 (14): (9307-9318). [PMID:] [10.1039/D1TA00895A] |
| 7. Liying Xu, Zhenlei Wang, Saidi Wang, Yanrong Liu, Xingmei Lu, Bing Yang, Ke Wang, Lijun Han, Jiayu Xin, Suojiang Zhang. (2024) Symmetrical Ionic Liquids Effectively Promote the Electrolytic Dimerization of Acrylonitrile to Adiponitrile. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.4c01963] |
| 8. Zixuan Zheng, John Lou Yao, Qiang Yao. (2025) Chemical Interactions between Polyamide 66 and Phosphorus Flame Retardants. POLYMER DEGRADATION AND STABILITY, [PMID:] [10.1016/j.polymdegradstab.2025.111435] |
| 9. Peng Yang, Lucheng Li, Meiling Liu, Jun Chen. (2025) Hybrid additives of lithium difluorophosphate (LIDFP) and adiponitrile (ADN): improving the high-voltage behaviors of NCM811 lithium-ion batteries. Journal of Energy Storage, [PMID:] [10.1016/j.est.2025.119479] |
| 10. Zhi-Rong Fu, Xin Zhang, Jing-Yuan Hao, Yu Han, Yu-Wei Xiang, Bao-Ju Wang, Xiang-Sen Wu, Yong Luo. (2025) An Efficient Co/NC Catalyst for the Hydrogenation of ADN to HMDA: Synergistic Effect of Co0 Content and Dispersion. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.5c03889] |
| 11. Shu Yang, Haonan Huang, Hailin Shen, Mengyuan Zhou, Liang Yuan, Yunyun Gao, Jinlei Zhang, Yike Wei, Changchun Ye, Weishan Li, Zhenghui Pan. (2025) Multi-functional nitrile-based electrolyte additives enable stable lithium metal batteries with high-voltage nickel-rich cathodes. Chemical Science, 16 (10): (4501-4511). [PMID:39926713] [10.1039/D4SC08045A] |