Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, ≥99.5% Analytical standard 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
|---|---|
| IUPAC Name | (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine |
| InChIKey | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
| INCHI | 1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) |
| Isómeros SMILES | C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl |
| WGK Alemania | 3 |
| RTECS | DU1925000 |
| Número ONU | 3077 |
| Peso molecular | 505.45 |
| Beilstein | 2826432 |
| Reaxy-Rn | 24120709 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24120709&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Biguanides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organochlorides Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Biguanide - Aryl halide - Aryl chloride - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic homomonocyclic compound |
| Descripción | 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 | monochlorobenzenes - biguanides |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 13, 2025 | C101647 | |
| Certificate of Analysis | Mar 13, 2025 | C101647 | |
| Certificate of Analysis | Mar 13, 2025 | C101647 | |
| Certificate of Analysis | Mar 13, 2025 | C101647 | |
| Certificate of Analysis | Aug 15, 2022 | C101647 | |
| Certificate of Analysis | Aug 15, 2022 | C101647 |
| Punto de fusión (°C) | 134-136°C |
|---|---|
| Peso molecular | 505.400 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 13 |
| Exact Mass | 504.203 Da |
| Monoisotopic Mass | 504.203 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 648.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
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