≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | 504761513 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761513 |
| Canonical Smiles | [C-]#[N+]C1=CC=CC=C1Cl |
| IUPAC Name | 1-chloro-2-isocyanobenzene |
| InChIKey | DRNNMKBEVALIPU-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClN/c1-9-7-5-3-2-4-6(7)8/h2-5H |
| Isomeric SMILES | [C-]#[N+]C1=CC=CC=C1Cl |
| Molecular Weight | 137.56 |
| Reaxy-Rn | 2716555 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716555&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 Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aryl halide - Aryl chloride - 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 |
|---|---|---|---|
 F2507112 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318366 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318367 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318368 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318369 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318370 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318374 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318375 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| H2318376 | Certificate of Analysis | Jul 14, 2023 | C299739 |
| Melt Point(°C) | 25-30°C |
|---|---|
| Molecular Weight | 137.560 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 137.003 Da |
| Monoisotopic Mass | 137.003 Da |
| Topological Polar Surface Area | 4.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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 |
