Determine the necessary mass, volume, or concentration for preparing a solution.
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Standard for GC, ≥99.5%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(#N)C(Cl)Cl |
|---|---|
| IUPAC Name | 2,2-dichloroacetonitrile |
| InChIKey | STZZWJCGRKXEFF-UHFFFAOYSA-N |
| INCHI | 1S/C2HCl2N/c3-2(4)1-5/h2H |
| Isomeric SMILES | C(#N)C(Cl)Cl |
| WGK Germany | 3 |
| RTECS | AL8465000 |
| UN Number | 2810 |
| Packing Group | I |
| Molecular Weight | 109.94 |
| Beilstein | 1739029 |
| Reaxy-Rn | 1739029 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739029&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 Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 | aliphatic nitrile |
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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 | Feb 04, 2026 | D110116 |
| Refractive Index | 1.441 |
|---|---|
| Flash Point(°C) | 35°C |
| Boil Point(°C) | 112~113°C |
| Molecular Weight | 109.940 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 108.949 Da |
| Monoisotopic Mass | 108.949 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 59.300 |
| 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. Zhen Pang, Peifeng Zhang, Xinyi Chen, Feilong Dong, Jing Deng, Cong Li, Junping Liu, Xiaoyan Ma, Andrea M. Dietrich. (2022) Occurrence and modeling of disinfection byproducts in distributed water of a megacity in China: Implications for human health. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:35926603] [10.1016/j.scitotenv.2022.157674] |
| 2. Qi Wang, Liwei Luo, Nan Huang, Wenlong Wang, Yuzhou Rong, Zhiwei Wang, Yi Yuan, Ao Xu, Jianglei Xiong, Qianyuan Wu, Hongying Hu. (2022) Evolution of low molecular weight organic compounds during ultrapure water production process: A pilot-scale study. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:35337873] [10.1016/j.scitotenv.2022.154713] |
| 3. Feilong Dong, Zhen Pang, Jianquan Yu, Jing Deng, Xueyan Li, Xiaoyan Ma, Andrea M. Dietrich, Yang Deng. (2021) Spatio-temporal variability of halogenated disinfection by-products in a large-scale two-source water distribution system with enhanced chlorination. JOURNAL OF HAZARDOUS MATERIALS, [PMID:34523488] [10.1016/j.jhazmat.2021.127113] |
| 4. Yan Wang, Lingfei Li, Zhe Sun, Huiyu Dong, Jianwei Yu, Zhimin Qiang. (2021) Removal of disinfection by-product precursors in drinking water treatment processes: Is fluorescence parallel factor analysis a promising indicator?. JOURNAL OF HAZARDOUS MATERIALS, [PMID:34119980] [10.1016/j.jhazmat.2021.126298] |
| 5. Qiufeng Lin, Feilong Dong, Cong Li, Junkui Cui. (2020) Disinfection byproduct formation from algal organic matters after ozonation or ozone combined with activated carbon treatment with subsequent chlorination. Journal of Environmental Sciences, [PMID:33985726] [10.1016/j.jes.2020.12.009] |
| 6. Feilong Dong, Jiaqi Liu, Cong Li, Qiufeng Lin, Tuqiao Zhang, Kejia Zhang, Virender K. Sharma. (2019) Ferrate(VI) pre-treatment and subsequent chlorination of blue-green algae: Quantification of disinfection byproducts. ENVIRONMENT INTERNATIONAL, [PMID:31654918] [10.1016/j.envint.2019.105195] |
| 7. Dong Li, Wen Cheng, Xiaoping Zhou, Xing Zheng, Jiehui Ren, Ting Meng. (2024) Insight into the role of stress response and toxic mechanism induced by Chloro-haloacetonitrile in vitro. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:39244879] [10.1016/j.ecoenv.2024.116999] |
| 8. Jinxiu Lou, Lu Yin, Feilong Dong, Zhanfei He, Huijie Lu, Shuangxi Fang, Xiangliang Pan. (2024) Wane-and-wax mechanism of nitrogenous disinfection byproducts with constant Cl/N peak under UV/chlorine treatment: Implication for new drinking water disinfection strategy. WATER RESEARCH, [PMID:39476780] [10.1016/j.watres.2024.122651] |
| 9. Guangcai Ma, Yifan Jin, Yujie Yu, Jiangmin Liu, Hui Shen, Xiaoxuan Wei, Haiying Yu. (2025) Elucidating formation mechanisms of disinfection by-product dichloroacetonitrile and dichloroacetamide from chloramination of amino acids and analogues: An integrated computational-experimental insight. JOURNAL OF HAZARDOUS MATERIALS, [PMID:41330296] [10.1016/j.jhazmat.2025.140649] |
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