≥93% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
description：
2-Chlorohydrocinnamonitrile is the thermal degradation product of 2-chlorobenzylidenemalononitrile (CS riot control agent).
application：
2-Chlorohydrocinnamonitrile was used as analytical standard for the GC-MS detection of 2-chlorobenzylidenemalononitrile (CS riot control agent).
| Pubchem Sid | 488190421 |
|---|---|
| Canonical Smiles | C1=CC=C(C(=C1)CCC#N)Cl |
| IUPAC Name | 3-(2-chlorophenyl)propanenitrile |
| InChIKey | MMTXIUJWFHJGBA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2 |
| Isomeric SMILES | C1=CC=C(C(=C1)CCC#N)Cl |
| WGK Germany | 3 |
| Molecular Weight | 165.62 |
| Reaxy-Rn | 2045338 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045338&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 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 chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| 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 |
|---|---|---|---|
 B2602014 | Certificate of Analysis | Feb 10, 2026 | C194792 |
| K2120288 | Certificate of Analysis | Sep 11, 2024 | C194792 |
| K2120289 | Certificate of Analysis | Sep 11, 2024 | C194792 |
| K2120293 | Certificate of Analysis | Sep 11, 2024 | C194792 |
| x_refractive_index | 1.539 |
|---|---|
| x_flash_point_drop_fahrenheit | 235.4 °F |
| x_flash_point_drop_centigrade | 113 °C |
| x_boil_point_char | 83 °C |
| Molecular Weight | 165.620 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 165.035 Da |
| Monoisotopic Mass | 165.035 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
