≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| Pubchem Sid | 488193720 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C#N)C(Cl)Cl |
| IUPAC Name | 4-(dichloromethyl)benzonitrile |
| InChIKey | NMXMVMJWZDVFMH-UHFFFAOYSA-N |
| INCHI | 1S/C8H5Cl2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H |
| Isomeric SMILES | C1=CC(=CC=C1C#N)C(Cl)Cl |
| Molecular Weight | 186.04 |
| Reaxy-Rn | 3240854 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240854&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 D2307452 | Certificate of Analysis | Jan 21, 2026 | D304531 |
| C2512044 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| K2214368 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| K2214369 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| K2214440 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| K2214456 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| L2522161 | Certificate of Analysis | Jul 27, 2022 | D304531 |
| Boil Point(°C) | 293.3±30.0℃(Predicted) |
|---|---|
| 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 |
