| Pubchem Sid | 504757149 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757149 |
| Sonrisas canónicas | CC(C)(C)C(C#N)C#N |
| IUPAC Name | 2-tert-butylpropanedinitrile |
| InChIKey | TUJPHMQZSDKRSL-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2/c1-7(2,3)6(4-8)5-9/h6H,1-3H3 |
| Isómeros SMILES | CC(C)(C)C(C#N)C#N |
| PubChem CID | 138154 |
| Peso molecular | 122.17 |
| Reaxy-Rn | 1902029 |
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 |
| Clase | 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 |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 J2312344 | Certificate of Analysis | Sep 22, 2023 | T162126 |
| J2312351 | Certificate of Analysis | Sep 22, 2023 | T162126 |
| J2312352 | Certificate of Analysis | Sep 22, 2023 | T162126 |
| J2312353 | Certificate of Analysis | Sep 22, 2023 | T162126 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Sensibilidad | Air Sensitive,Hygroscopic |
| Peso molecular | 122.170 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.084 Da |
| Monoisotopic Mass | 122.084 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
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| 2. Bowen Lu, Yongqing Xu, Zewu Zhang, Fan Wu, Xiaoshan Li, Cong Luo, Liqi Zhang. (2021) CO2 hydrogenation on CeO2@Cu catalyst synthesized via a solution auto-combustion method. Journal of CO2 Utilization, [PMID:] [10.1016/j.jcou.2021.101757] |
| 3. Zhu Mengting, Tonni Agustiono Kurniawan, Ram Avtar, Mohd Hafiz Dzarfan Othman, Tong Ouyang, Huang Yujia, Zhang Xueting, Tjandra Setiadi, Iswanto Iswanto. (2020) Applicability of TiO2(B) nanosheets@hydrochar composites for adsorption of tetracycline (TC) from contaminated water. JOURNAL OF HAZARDOUS MATERIALS, [PMID:33288338] [10.1016/j.jhazmat.2020.123999] |
| 4. Jinqiang Wang, Wenzheng Yu, Nigel J.D. Graham, Lei Jiang. (2019) Evaluation of a novel polyamide-polyethylenimine nanofiltration membrane for wastewater treatment: Removal of Cu2+ ions. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2019.123769] |
| 5. Guangfei Liu, Jiaqi Zhu, Ruofei Jin, Jiti Zhou, Zhanming Gao, Jing Wang. (2019) Accelerating effects of humin on sulfide-mediated azo dye reduction. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:30889399] [10.1016/j.ecoenv.2019.03.047] |
