≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504758316 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758316 |
| Canonical Smiles | C1=CC=C(C(=C1)CSC#N)Cl |
| IUPAC Name | (2-chlorophenyl)methyl thiocyanate |
| InChIKey | BEQHMRYBIXNFTP-UHFFFAOYSA-N |
| INCHI | 1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4H,5H2 |
| Isomeric SMILES | C1=CC=C(C(=C1)CSC#N)Cl |
| Molecular Weight | 183.65 |
| Reaxy-Rn | 2089869 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089869&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 thiocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl thiocyanates |
| Alternative Parents | Chlorobenzenes Aryl chlorides Thiocyanates Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl thiocyanate - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl thiocyanates. These are aromatic compounds containing an thiocyanate group that is S-substituted to a benzyl 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 |
|---|---|---|---|
 A2417271 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| A2417279 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| A2417280 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| A2417281 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| A2417282 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| A2417283 | Certificate of Analysis | Dec 14, 2023 | C153807 |
| Refractive Index | 1.59 |
|---|---|
| Flash Point(°C) | 130 °C |
| Boil Point(°C) | 140°C/5mmHg(lit.) |
| Molecular Weight | 183.660 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 182.991 Da |
| Monoisotopic Mass | 182.991 Da |
| Topological Polar Surface Area | 49.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
