≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755094 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755094 |
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)CC#N)Cl |
| IUPAC Name | 2-(2,6-dichlorophenyl)acetonitrile |
| InChIKey | AOEJUUCUKRUCEF-UHFFFAOYSA-N |
| INCHI | 1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)CC#N)Cl |
| WGK Germany | 3 |
| Molecular Weight | 186.04 |
| Beilstein | 1910482 |
| Reaxy-Rn | 1910482 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910482&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1706007 | Certificate of Analysis | Jun 12, 2025 | D122859 |
| D2509649 | Certificate of Analysis | Jun 25, 2024 | D122859 |
| C2521409 | Certificate of Analysis | Jun 24, 2024 | D122859 |
| D2303418 | Certificate of Analysis | Apr 26, 2023 | D122859 |
| C1506096 | Certificate of Analysis | Nov 11, 2022 | D122859 |
| D2303374 | Certificate of Analysis | Nov 11, 2022 | D122859 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 74-77°C |
| Molecular Weight | 186.030 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.98 Da |
| Monoisotopic Mass | 184.98 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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. Di Zhang, Tom Bond, Mingli Li, Shengkun Dong, Yang Pan, Erdeng Du, Rong Xiao, Wenhai Chu. (2021) Ozonation Treatment Increases Chlorophenylacetonitrile Formation in Downstream Chlorination or Chloramination. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:33595294] [10.1021/acs.est.0c07853] |
| 2. Di Zhang, Wenhai Chu, Yun Yu, Stuart W. Krasner, Yang Pan, Jun Shi, Daqiang Yin, Naiyun Gao. (2018) Occurrence and Stability of Chlorophenylacetonitriles: A New Class of Nitrogenous Aromatic DBPs in Chlorinated and Chloraminated Drinking Waters. Environmental Science & Technology Letters, [PMID:] [10.1021/acs.estlett.8b00220] |
| 3. Mansu Yang, Di Zhang, Wenhai Chu. (2023) Adsorption of highly toxic chlorophenylacetonitriles on typical microplastics in aqueous solutions: Kinetics, isotherm, impact factors and mechanism. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:37023804] [10.1016/j.scitotenv.2023.163261] |
