≥98%(GC) 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488188927 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188927 |
| Canonical Smiles | C1=CC(=CC=C1CC#N)Cl |
| IUPAC Name | 2-(4-chlorophenyl)acetonitrile |
| InChIKey | IVYMIRMKXZAHRV-UHFFFAOYSA-N |
| INCHI | 1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
| Isomeric SMILES | C1=CC(=CC=C1CC#N)Cl |
| WGK Germany | 3 |
| RTECS | AL8250000 |
| Molecular Weight | 151.6 |
| Beilstein | 971171 |
| Reaxy-Rn | 971171 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971171&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 | Chlorobenzenes Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - 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 | a small molecule |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1815033 | Certificate of Analysis | Mar 20, 2026 | C124714 |
| E2210014 | Certificate of Analysis | Feb 04, 2026 | C124714 |
| E2210015 | Certificate of Analysis | Feb 04, 2026 | C124714 |
| E2210020 | Certificate of Analysis | Feb 04, 2026 | C124714 |
| G1905098 | Certificate of Analysis | May 06, 2023 | C124714 |
| E2210021 | Certificate of Analysis | Mar 01, 2022 | C124714 |
| F23061352 | Certificate of Analysis | Mar 01, 2022 | C124714 |
| J2515069 | Certificate of Analysis | Mar 01, 2022 | C124714 |
| Solubility | Soluble in water; Degree of Solubility in water: 550 g/l 20 °C; Soluble in Acetone,Benzene,Toluene,Alcohol |
|---|---|
| Refractive Index | 1.543 |
| Flash Point(°F) | 273.2 °F |
| Flash Point(°C) | 134°C(273°F) |
| Boil Point(°C) | 141-143°C/11mm |
| Melt Point(°C) | 25-28°C |
| Molecular Weight | 151.590 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 151.019 Da |
| Monoisotopic Mass | 151.019 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| 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. 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] |
| 2. 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] |
| 3. Di Zhang, Tom Bond, Stuart W. Krasner, Wenhai Chu, Yang Pan, Bin Xu, Daqiang Yin. (2018) Trace determination and occurrence of eight chlorophenylacetonitriles: An emerging class of aromatic nitrogenous disinfection byproducts in drinking water. CHEMOSPHERE, [PMID:33395807] [10.1016/j.chemosphere.2018.12.127] |
| 4. 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] |
| 5. Xiaotong Zhang, Siying Yang, Tingting Mo, Yingshi Zhou, Haoyu Xue, Jinying Yuan, Lei Tao, Mei Tian, Yen Wei, Zengfang Huang. (2025) A series of N-substituted phenothiazine acrylate monomers for fluorescence nanoparticles: Synthesis, structure-fluorescence relationship and drugs delivery systems of paclitaxel. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2025.136671] |
