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· · COA & SDS available for every product · Same-day shipping on in-stock items Simazine - ≥96% , CAS No.122-34-9
Synonyms
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl- | Bitemol | Gesapun | Herbatoxol S | Princep 80W | Simatox | Spectrum2_001879 | BRN 0010895 | CAT (herbicide) | Tafazine | Yrodazin | Simazine [ANSI:BSI:ISO] | Simazine 50 | CHEBI:27496 | Primatel S | SIM
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Product Introduction
Simazine is a triazine herbicide mostly used in corn production. It can be converted by corn seedling to hydroxysimazine, which is a detoxified form.
Application
Simazine has been used as working standard in HPLC/DAD and GC/FID methods to identify and quantify triazine herbicides from water samples.
Specifications Synonyms
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl- | Bitemol | Gesapun | Herbatoxol S | Princep 80W | Simatox | Spectrum2_001879 | BRN 0010895 | CAT (herbicide) | Tafazine | Yrodazin | Simazine [ANSI:BSI:ISO] | Simazine 50 | CHEBI:27496 | Primatel S | SIM
Specifications & Purity
≥96%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504750857
Canonical Smiles
CCNC1=NC(=NC(=N1)Cl)NCC
IUPAC Name
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
InChIKey
ODCWYMIRDDJXKW-UHFFFAOYSA-N
INCHI
1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
Isomeric SMILES
CCNC1=NC(=NC(=N1)Cl)NCC
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Triazines Subclass 1,3,5-triazines Intermediate Tree Nodes Halo-S-triazines Direct Parent Chloro-s-triazines Alternative Parents Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Chloro-s-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom. External Descriptors s -triazineData sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties x_flash_point_drop_fahrenheit 212.0 °F x_flash_point_drop_centigrade 100 °C Molecular Weight 201.660 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 201.078 Da Monoisotopic Mass 201.078 Da Topological Polar Surface Area 62.700 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 131.000 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
FAQs and Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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