Simazine - ≥96% , CAS No.122-34-9

CAS: 122-34-9 Cat. No.: S299340 Molecular Weight: 201.66 Beilstein Registry Number: 10895 EC Number: 204-535-2 PubChem CID: 5216
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
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
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
1g
S299340-1g
3

$26.90

$31.90
Save $5.00 (15.67%)
5g
S299340-5g
3

$43.90

$51.90
Save $8.00 (15.41%)
25g
S299340-25g
3

$147.90

$172.90
Save $25.00 (14.46%)
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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%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Pubchem Sid504750857
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750857
Canonical SmilesCCNC1=NC(=NC(=N1)Cl)NCC
IUPAC Name6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
InChIKeyODCWYMIRDDJXKW-UHFFFAOYSA-N
INCHI1S/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
WGK Germany 3
PubChem CID 5216
UN Number 3077
Packing Group III
Molecular Weight 201.66
Beilstein 10895

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassTriazines
Subclass1,3,5-triazines
Intermediate Tree Nodes Halo-S-triazines
Direct ParentChloro-s-triazines
Alternative Parents Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis 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-triazine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Echinochloa crus-galli (3685 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chenopodium album (769 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Protoporphyrinogen IX oxidase (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
petD Cytochrome b6-f complex subunit 4 (179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stellaria media (151 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pontederia vaginalis (622 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Digitaria ciliaris (285 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Echinochloa oryzicola (1513 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Schoenoplectiella juncoides (1014 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Persicaria longiseta (53 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Poa annua (183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rotala indica (446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Amaranthus blitum subsp. oleraceus (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scenedesmus acutus (534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
F2109217Certificate of AnalysisMar 13, 2023 S299340
F2109218Certificate of AnalysisMar 13, 2023 S299340
F2109216Certificate of AnalysisMar 09, 2023 S299340
Chemical and Physical Properties
Flash Point(°F)212.0 °F
Flash Point(°C)100 °C
Molecular Weight201.660 g/mol
XLogP32.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass201.078 Da
Monoisotopic Mass201.078 Da
Topological Polar Surface Area62.700 Ų
Heavy Atom Count13
Formal Charge0
Complexity131.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Bingyang Liu, Yu Wang, Xue Hao, Xuetao Liang, Qi Yang.  (2023)  Activation of PMS degradation of chlorotriazine herbicides (atrazine and simazine) by MIL101-derived Fe/Co@C under high salinity conditions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146129]
2. Penghu Duan, Dongpeng Mao, Dayi Zhang, Xinyao Wang, Xiyao Kong, Yunxian Piao.  (2023)  Polyaniline and polystyrene sulfonic acid modified on conductive biochar nanoparticle with strong signal enhancement for trace atrazine detection.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2023.143198]
3. Yuan He, Zhan Chen, Xia Huang, Xiaomao Wang, Xianghua Wen.  (2023)  A novel catalytic membrane integrated with ozone process for secondary wastewater treatment: Micropollutant removal, membrane fouling control, and its mechanisms.  DESALINATION,      [PMID:] [10.1016/j.desal.2023.116869]
4. Zhiwei Zhou, Yaohua Yan, Xing Li, Fanxi Zeng, Senlin Shao.  (2023)  Effect of urea-based chemical cleaning on TrOCs rejection by nanofiltration membranes.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123662]
5. Min Tao, Jian Zhang, Jiliang Lv, Jiaquan Zhang, Yuxiao Li, Shan Liu, Wensheng Xiao, Ying Huang, Han Zheng.  (2022)  Highly efficient activation of sulfite by surface oxidized pyrite for atrazine degradation: Experimental and DFT study.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2022.109200]
6. Xue-Qing SANG, Wen-Ju YAN, Xue-Fei QIN, Xue-Ying ZHOU, Wen-Ying JIN, Ya-Li YUAN, Yun ZHANG, Wen-Xin NIU.  (2022)  Non-instrumental and ultrasensitive detection of Acetamiprid residue based on Tyndall effect of silver nanoparticles.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.cjac.2022.100194]
7. Xinyu Lu, Peng Liu, Krishna Bisetty, Yue Cai, Xuemin Duan, Yangping Wen, Yifu Zhu, Liangmei Rao, Quan Xu, Jingkun Xu.  (2022)  An emerging machine learning strategy for electrochemical sensor and supercapacitor using carbonized metal–organic framework.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2022.116634]
8. Hong Pan, Zushan Gan, Haoyun Hu, Cheng Liu, Yipeng Huang, Guihua Ruan.  (2022)  Magnetic phenolic resin core-shell structure derived carbon microspheres for ultrafast magnetic solid-phase extraction of triazine herbicides.  JOURNAL OF SEPARATION SCIENCE,  45  (14): (2687-2698).  [PMID:35579607] [10.1002/jssc.202200283]
9. Jinhua Luo, Liping Jiang, Guihua Ruan, Chengyong Li, Fuyou Du.  (2021)  Fabrication and application of a MIL-68(In)–NH2 incorporated high internal phase emulsion polymeric monolith as a solid phase extraction adsorbent in triazine herbicide residue analysis.  RSC Advances,  11  (33): (20439-20445).  [PMID:35479924] [10.1039/D1RA02619D]
10. Xiaoou Wei, Yue Sun, Chao Liu, Zhihua Li, Xiaobo Zou, Di Zhang, Wen Zhang, Jiyong Shi, Xiaowei Huang, Yanxiao Li.  (2020)  A nitrile-mediated SERS aptasensor coupled with magnetic separation for optical interference-free detection of atrazine.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.129075]
11. Yuan Qu, Heng Qian, Yiduo Mi, Jingjing He, Haixiang Gao, Runhua Lu, Sanbing Zhang, Wenfeng Zhou.  (2020)  Rapid determination of the pesticide ametryn based on a colorimetric aptasensor of gold nanoparticles.  Analytical Methods,  12  (14): (1919-1925).  [PMID:] [10.1039/D0AY00283F]
12. Wenjuan Zhang, Guihua Ruan, Xianxian Li, Xiangqiong Jiang, Yipeng Huang, Fuyou Du, Jianping Li.  (2019)  Novel porous carbon composites derived from a graphene-modified high-internal- phase emulsion for highly efficient separation and enrichment of triazine herbicides.  ANALYTICA CHIMICA ACTA,      [PMID:31128751] [10.1016/j.aca.2019.04.041]
13. Qingxiang Zhou, Zhi Fang.  (2015)  Use of TiO2 nanotube arrays as the adsorbents for preconcentration of triazine herbicides in environmental water samples prior to determination using high performance liquid chromatography.  Analytical Methods,  (7): (3277-3282).  [PMID:] [10.1039/C4AY03012E]
14. Zihang Zeng, Bingni Jia, Xiaofeng Liu, Lixiang Chen, Peng Zhang, Taiping Qing, Bo Feng.  (2024)  Adsorption behavior of triazine pesticides on polystyrene microplastics aging with different processes in natural environment.  ENVIRONMENTAL POLLUTION,      [PMID:38844042] [10.1016/j.envpol.2024.124319]
15. Ma Rong, Yu Shuangshuang, Li Yafang, Lin Yan, Ma Xiaodong.  (2024)  Enhancing the efficiency of polypyrrole-dodecylbenzene sulfonic acid in-tube solid-phase microextraction coating for analysis of nitrogen-containing pesticides in water environments.  Frontiers in Environmental Science,      [PMID:] [10.3389/fenvs.2024.1350170]
16. Guangping Xia, Yipeng Huang, Shi Yu, Bingmei Lai, Zhenyu Li, Guihua Ruan.  (2024)  Facile synthesis of uniform, spherical, nitrogen- and sulfur-rich covalent organic frameworks for efficient extraction of herbicides containing chlorophenyl and acylamino groups.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110259]
17. Junjie Qi, Wenhui Hao, Jingkun Li, Yuqi Wan, Guoyong Jiang, Yukihiro Ozaki, Fuwei Pi.  (2025)  PCN222(Fe)@NU-1000 based MOF-on-MOF dual-signal sensing strategy for sensitive detection of phoxim.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115260]
18. Rui Shi, Yipeng Huang, Guihua Ruan, Zhengyi Chen, Yanqun Yang, Zhuqiang Wu.  (2024)  Controlled synthesis of sulfhydryl-dendritic mesoporous silica nanospheres for ultrafast extraction and sensitive analysis of organochlorine herbicides containing amide groups.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38484640] [10.1016/j.chroma.2024.464794]
19. Bingqian Jing, Yuanyuan Li, Xiaofeng Liu, Zihang Zeng, Zan Long, Bingni Jia, Bo Feng, Peng Zhang, Taiping Qing.  (2025)  Colorimetric Nanozyme Sensing Array based on the Interface Interaction of Platinum Nanoparticles for Discriminating Structurally Similar Triazine Pesticides in Water.  Environmental Science-Nano,      [PMID:] [10.1039/D5EN00182J]
20. Yang Bingnian, Peng Ziqin, Xia Guangping, Ruan Guihua, Huang Yipeng, Tang Ningli.  (2026)  Controllable synthesis of reticulated covalent organic polymers for the rapid extraction of triazine herbicides in vegetables prior to analysis by high-performance liquid chromatography.  MICROCHIMICA ACTA,  193  (3): (150).  [PMID:41663847] [10.1007/s00604-026-07841-x]
21. Xiaowen Huang, Zhuqiang Wu, Yipeng Huang, Guihua Ruan, Ningli Tang.  (2026)  Controllable Synthesis of Hydrangea-Shaped Covalent Organic Frameworks by Solvent Tuning at Room Temperature for Solid-Phase Extraction of Herbicides.  LANGMUIR,      [PMID:41563044] [10.1021/acs.langmuir.5c04930]
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