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 |
|---|
Basic Description
| Synonyms | Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitrile | Hexanedinitrile | InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H | AI3-11080 | MLS002415709 | Adipinsaeuredinitril | HSDB 627 | NCGC00090882-01 | UNII-SYT33B891 |
|---|---|
| Specifications & Purity | ≥99%, acid ＜200 ppm, H₂O ＜100 ppm |
| Legal Information | Product of MU Ionic Solutions Corp |
| Storage Temp | Argon charged |
| Shipped In | Normal |
| Product Description |
Description The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. Adiponitrile finds application as additive in lithium ion batteries. |
AI Insight
Associated Targets(Human)
GNAS
Tbio
Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504751594 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751594 |
| IUPAC Name | hexanedinitrile |
| INCHI | InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2 |
| InChi Key | BTGRAWJCKBQKAO-UHFFFAOYSA-N |
| Canonical SMILES | C(CCC#N)CC#N |
| Isomeric SMILES | C(CCC#N)CC#N |
| WGK Germany | 1 |
| RTECS | AV2625000 |
| PubChem CID | 8128 |
| UN Number | 2205 |
| Packing Group | III |
| Molecular Weight | 108.14 |
| Beilstein | 1740005 |
| Reaxy-Rn | 1740005 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2404153 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| C2404155 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| C2404158 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| C2404156 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| C2404157 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| C2404159 |
Certificate of Analysis | Mar 13, 2024 | A463039 |
| H2302019 |
Certificate of Analysis | Aug 08, 2023 | A463039 |
| H2302018 |
Certificate of Analysis | Aug 08, 2023 | A463039 |
| H2302016 |
Certificate of Analysis | Aug 08, 2023 | A463039 |
| H2302015 |
Certificate of Analysis | Aug 08, 2023 | A463039 |
| H2302017 |
Certificate of Analysis | Aug 08, 2023 | A463039 |
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Chemical and Physical Properties
| Solubility | Slightly soluble water，Soluble in ethanol 、methanol and chloroform |
|---|---|
| Sensitivity | Moisture sensitive |
| 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 |
Safety and Hazards(GHS)
| Pictogram(s) | GHS06 |
|---|---|
| Signal | Danger |
| Hazard Statements |
H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation H301: Toxic if swallowed H332: Harmful if inhaled H330: Fatal if inhaled |
| Precautionary Statements |
P261: Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: wash with plenty of water. P321: Specific treatment (see ... on this label). P405: Store locked up. P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P260: Do not breathe dust/fume/gas/mist/vapors/spray. P284: [In case of inadequate ventilation] Wear respiratory protection. P271: Use only outdoors or in a well-ventilated area. P270: Do not eat, drink or smoke when using this product. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233: Store in a well-ventilated place. Keep container tightly closed. P362+P364: Take off contaminated clothing and wash it before reuse. P330: Rinse mouth. P320: Specific treatment is urgent (see ... on this label). P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316: IF SWALLOWED: Get emergency medical help immediately. P317: Get emergency medical help. P337+P317: If eye irritation persists: Get medical help. P332+P317: If skin irritation occurs: Get medical help. P316: Get emergency medical help immediately. P319: Get medical help if you feel unwell. |
| WGK Germany | 1 |
| RTECS | AV2625000 |
| Reaxy-Rn | 1740005 |
| Class | 6.1 |
Specifications
Citations of This Product
| 1. Qingshuai Xu, Xuejun Lai, Gaige Zhang, Tan Li, Yongcai Qiu. (2024) 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, 480 (148021). [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, 551 (1): (113585). [PMID:8760387] [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:12944476] [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] |
References
| 1. Qingshuai Xu, Xuejun Lai, Gaige Zhang, Tan Li, Yongcai Qiu. (2024) 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, 480 (148021). [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, 551 (1): (113585). [PMID:8760387] [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:12944476] [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] |
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