Chlortoluron solution - analytical standard, 100ug/ml in petroleum ether , CAS No.15545-48-9

CAS: 15545-48-9 Cat. No.: C114693 Peso molecular: 212.68 Beilstein Registry Number: 2647688 Número EC: 239-592-2
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100ug/ml in petroleum ether
Synonyms
SCHEMBL64782 | HMS557B09 | HSDB 2760 | KS-5366 | CHEBI:81981 | CHLOROTOLURON [HSDB] | MFCD00018275 | N'-(3-Chloro-4-methylphenyl)-N,N-dimethylurea | N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea | Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl- | DivK1c_001775
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
1ml
C114693-1ml
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Why this grade

analytical standard, 100ug/ml in petroleum ether Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 34 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
SCHEMBL64782 | HMS557B09 | HSDB 2760 | KS-5366 | CHEBI:81981 | CHLOROTOLURON [HSDB] | MFCD00018275 | N'-(3-Chloro-4-methylphenyl)-N, N-dimethylurea | N-(3-Chloro-4-methylphenyl)-N', N'-dimethylurea | Urea, 3-(3-chloro-p-tolyl)-1, 1-dimethyl- | DivK1c_001775
Especificaciones y pureza
analytical standard, 100ug/ml in petroleum ether
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Analytical standard
Nombres e identificadores
Sonrisas canónicasCC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
IUPAC Name3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
InChIKeyJXCGFZXSOMJFOA-UHFFFAOYSA-N
INCHI1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
Isómeros SMILES CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
WGK Alemania 3
RTECS YS7230000
Número ONU 3077
Peso molecular 212.68
Beilstein 2647688
Reaxy-Rn 2647688
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2647688&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Toluenes  Chlorobenzenes  Aryl chlorides  Ureas  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-phenylurea - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Carbonic acid derivative - Urea - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Phenylurea herbicides
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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Analytical Chart:

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1 results found

Lot NumberCertificate TypeFechaArticulo
H1512187Certificate of AnalysisMar 15, 2023 C114693
Propiedades químicas y físicas
SolubilidadHardly soluble in water, slightly soluble in some organic solvents.
Punto de fusión (°C)147-148°C
Peso molecular212.670 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass212.072 Da
Monoisotopic Mass212.072 Da
Topological Polar Surface Area32.299 Ų
Heavy Atom Count14
Formal Charge0
Complexity208.000
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
Citations of This Product
Referencias
1. Chun-Ying Xu, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2023)  Fabrication of magnetic Fe3O4 doped β-cyclodextrin microporous organic network for the efficient extraction of endocrine disrupting chemicals from food takeaway boxes.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38171066] [10.1016/j.chroma.2023.464625]
2. Peizeng Yang, Jiayue Dong, Haiyan Wang, Teng Zhang, Gregory V. Korshin, Junhe Lu.  (2023)  Formation of N-Nitrosodimethylamine by Sunlight Irradiation of Dimethylamine Compounds in the Presence of Nitrite.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.3c00536]
3. YueYue Zhang, Jinjuan Wang, Ang Yu, Yuanfei Wu, Xiaojia Huang.  (2023)  Green fabrication of fly ash-based magnetic adsorbent under water medium for the simultaneous capture of phenylurea and sulfonylurea herbicides prior to chromatographic quantification.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109776]
4. Mingcai Ma, Xiaofeng Lu, Licheng Wang, Yong Guo, Hui Ding, Shuai Wang, Xiaojing Liang.  (2023)  A stable core-shell metal-organic framework@covalent organic framework composite as solid-phase extraction adsorbent for selective enrichment and determination of flavonoids.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37634259] [10.1016/j.chroma.2023.464324]
5. Linna Guo, Miao Tian, Zhi Li, Qianqian Wang, Qiuhua Wu, Lin Hao, Chun Wang.  (2023)  Preparation of hypercrosslinked porous polymer with manifold functional groups for sensitive determination of phenylurea herbicides in beverages and celtuce samples.  FOOD CHEMISTRY,      [PMID:37385066] [10.1016/j.foodchem.2023.136674]
6. Yongfa Cheng, Lingzhi Cheong, Yongyong Li, Yongjiang Lou, Shiqian Fu.  (2023)  Sensitive and rapid electrochemical detection of nitroaromatic pesticides by the ordered macro-microporous ZIF-8 immobilized lipase-based sensor.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109007]
7. Chun Wang, Qianqian Wang, Jintao Yu, Xinmeng Wang, Lijuan Wang, Bin Zhao, Lin Hao, Weihua Liu, Zhi Wang, Hao Chen, Qiuhua Wu.  (2023)  Converting waste expanded polystyrene into higher-value-added hyper-crosslinked porous polymer for rapid and high-efficient adsorption of aflatoxins.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.137102]
8. Dongsheng Zhao, Wenqian Li, Rongmei Wen, Nana Lei, Wencui Li, Xin Liu, Xiutang Zhang, Liming Fan.  (2023)  Eu(III)-Functionalized MOF-Based Dual-Emission Ratiometric Sensor Integrated with Logic Gate Operation for Efficient Detection of Hippuric Acid in Urine and Serum.  INORGANIC CHEMISTRY,      [PMID:36706037] [10.1021/acs.inorgchem.2c03828]
9. Jiangyi Wu, Siyu Luo, Xiaojia Huang.  (2022)  Fabrication of monolith-based electrodes for simultaneous solid-phase microextraction of phenylurea and sulfonylurea herbicides assisted by electric field.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140786]
10. Kaisheng Hong, Youfang Huang, Lingxin Zheng, Xinyi Zheng, Xiaojia Huang.  (2022)  One-pot fabrication of poly (ionic liquid)s functionalized magnetic adsorbent for efficient enrichment of phenylurea herbicides in environmental waters.  ANALYTICA CHIMICA ACTA,      [PMID:35190134] [10.1016/j.aca.2022.339549]
11. Feng Ji, Zhao Zhe, Li Jilong, Shan Zhenhua, Yang Yi, Wang Zhibing, Zhang Hanqi.  (2021)  Vortex-assisted dispersive liquid–liquid microextraction based on the solidification of sedimentary deep eutectic solvents for the determination of triazine and phenylurea herbicides in milk samples.  Analytical Methods,  14  (4): (460-468).  [PMID:35023520] [10.1039/D1AY01788H]
12. Xin-Qiao He, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2021)  Thiol–Yne Click Postsynthesis of a Sulfonate Group-Enriched Magnetic Microporous Organic Network for Efficient Extraction of Benzimidazole Fungicides.  ACS Applied Materials & Interfaces,      [PMID:34374514] [10.1021/acsami.1c11148]
13. Weihua Liu, Juntao Wang, Shuangju Song, Lin Hao, Jiajia Liu, Yangjuan An, Yaxing Guo, Qiuhua Wu, Chun Wang, Zhi Wang.  (2021)  Facile synthesis of uniform spherical covalent organic frameworks for determination of neonicotinoid insecticides.  FOOD CHEMISTRY,      [PMID:34343809] [10.1016/j.foodchem.2021.130653]
14. Xin-Qiao He, Yuan-Yuan Cui, Xiao-Hui Lin, Cheng-Xiong Yang.  (2021)  Fabrication of polyethyleneimine modified magnetic microporous organic network nanosphere for efficient enrichment of non-steroidal anti-inflammatory drugs from wastewater samples prior to HPLC-UV analysis.  TALANTA,      [PMID:34215105] [10.1016/j.talanta.2021.122471]
15. Mingming Xu, Yangjuan An, Qianqian Wang, Junmin Wang, Lin Hao, Chun Wang, Zhi Wang, Junhong Zhou, Qiuhua Wu.  (2021)  Construction of hydroxyl functionalized magnetic porous organic framework for the effective detection of organic micropollutants in water, drink and cucumber samples.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33951875] [10.1016/j.jhazmat.2021.125307]
16. Jun-Hua Han, Yuan-Yuan Cui, Xin-Qiao He, Yan Zhang, Cheng-Xiong Yang.  (2021)  Fabrication of carboxyl functionalized microporous organic network coated stir bar for efficient extraction and analysis of phenylurea herbicides in food and water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:33556684] [10.1016/j.chroma.2021.461947]
17. Wanfeng Wang, Panqing Yang, Yanling Guo, Haoran Ji, Fang Liang.  (2020)  Phenylurea herbicide degradation and N-nitrosodimethylamine formation under various oxidation conditions: Relationships and transformation pathways.  ENVIRONMENTAL POLLUTION,      [PMID:33248834] [10.1016/j.envpol.2020.116122]
18. Qiuhua Wu, Yuhong Song, Qianqian Wang, Weihua Liu, Lin Hao, Zhi Wang, Chun Wang.  (2020)  Combination of magnetic solid-phase extraction and HPLC-UV for simultaneous determination of four phthalate esters in plastic bottled juice.  FOOD CHEMISTRY,      [PMID:32858384] [10.1016/j.foodchem.2020.127855]
19. Tong Yao, Liu Xueyan, Zhang Lei.  (2019)  One-pot fabrication of magnetic porous Fe3C/MnO/graphitic carbon microspheres for dispersive solid-phase extraction of herbicides prior to their quantification by HPLC.  MICROCHIMICA ACTA,  186  (4): (1-9).  [PMID:30904959] [10.1007/s00604-019-3358-0]
20. Gao Tian, Wang Junmin, Hao Lin, Yang Xiumin, Wang Chun, Wu Qiuhua, Wang Zhi.  (2018)  A magnetic knitting aromatic polymer as a new sorbent for use in solid-phase extraction of organics.  MICROCHIMICA ACTA,  185  (12): (1-9).  [PMID:30460410] [10.1007/s00604-018-3085-y]
21. Yao Wang, Ruobai Xiao, Ershun Yang, Qiuhua Wu, Chun Wang, Zhi Wang.  (2018)  Phthalocyanine-containing polymer derived porous carbon as a solid-phase extraction adsorbent for the enrichment of phenylurea herbicides from water and vegetable samples.  Separation Science Plus,  (5): (359-366).  [PMID:] [10.1002/sscp.201700029]
22. Xinyu Liang, Juntao Wang, Qiuhua Wu, Chun Wang, Zhi Wang.  (2018)  Use of a hypercrosslinked triphenylamine polymer as an efficient adsorbent for the enrichment of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29397984] [10.1016/j.chroma.2018.01.033]
23. Juntao Wang, Menghua Li, Caina Jiao, Yuhong Song, Chun Wang, Qiuhua Wu, Zhi Wang.  (2017)  Preparation of a magnetic porous organic polymer for the efficient extraction of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28888678] [10.1016/j.chroma.2017.09.001]
24. Juanjuan Wu, Ruiyang Ma, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang.  (2017)  Triphenylamine-based hypercrosslinked organic polymer as adsorbent for the extraction of phenylurea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28903856] [10.1016/j.chroma.2017.09.012]
25. Menghua Li, Juntao Wang, Caina Jiao, Chun Wang, Qiuhua Wu, Zhi Wang.  (2016)  Graphene oxide framework: An adsorbent for solid phase extraction of phenylurea herbicides from water and celery samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27693016] [10.1016/j.chroma.2016.09.056]
26. Wang Chun, Liu Li, Zhang Zhenhao, Wu Qiuhua, Wang Zhi.  (2015)  Magnetic Biomass Activated Carbon-Based Solid-Phase Extraction Coupled with High Performance Liquid Chromatography for the Determination of Phenylurea Herbicides in Bottled Rose Juice and Water Samples.  Food Analytical Methods,  (1): (80-87).  [PMID:] [10.1007/s12161-015-0181-z]
27. Qiuhua Wu, Ying Zhao, Chun Wang, Meng Sun, Xiaoxing Ma, Zhi Wang.  (2014)  Mesoporous carbon reinforced hollow fiber liquid-phase microextraction for the enrichment of phenylurea herbicides followed by their determination with high performance liquid chromatography.  Analytical Methods,  (3): (901-908).  [PMID:] [10.1039/C4AY02423K]
28. Sun Meng, Tang Ranxiao, Wu Qiuhua, Wang Chun, Wang Zhi.  (2013)  Graphene Reinforced Hollow Fiber Liquid Phase Microextraction for the Enrichment of some Phenylurea Residues in Milk Sample.  Food Analytical Methods,  (5): (1097-1102).  [PMID:] [10.1007/s12161-013-9719-0]
29. Lu Qianqian, Xu Xinxin, Qu Aihua, Liu Liqiang, Li Yuzhe, Sun Maozhong, Xu Chuanlai, Kuang Hua.  (2024)  A multi-colloidal gold immunochromatography assay for rapid and simultaneous detection of 13 herbicides.  Nano Research,      [PMID:] [10.1007/s12274-024-6858-0]
30. Chenhuan Wang, Qianqian Wang, Kaiyuan Si.  (2025)  Construction of carboxyl-functionalized hyper-cross-linked porous polymers using waste polystyrene for effective adsorption of phenolic contaminants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40179671] [10.1016/j.chroma.2025.465925]
31. Hua Wang, Lin Hao, Yaxing Guo, Chun Wang, Qiuhua Wu, Zhi Wang.  (2024)  Construction of magnetic recoverable porous electron-rich organic frameworks for efficiently enrichment of phenylurea herbicides from water and milk samples prior to HPLC detection.  FOOD CHEMISTRY,      [PMID:39178545] [10.1016/j.foodchem.2024.140812]
32. Xiaoxia Zhang, Jinchang Liu, Han Zhang, Qinming Zhang, Jiwei Shen, Yinmao Wei, Chaozhan Wang.  (2024)  Facile construction of a stable core-shell spherically magnetic polyimide covalent organic framework for efficient extraction of phenylurea herbicides.  TALANTA,      [PMID:38703485] [10.1016/j.talanta.2024.126184]
33. Zichen Zhao, Ruiyang Ma, Juntao Wang, Qing Zhang, Miao Jing, Chun Wang, Qiuhua Wu, Zhi Wang.  (2025)  Preparation of boric acid functionalized hyper-crosslinked polymer for efficient extraction of phenylurea herbicides from lake water, green tea drink and tomato samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40036914] [10.1016/j.chroma.2025.465823]
34. Yaxing Guo, Ruiyang Ma, Weihua Liu, Lin Hao, Qiuhua Wu, Zhi Wang.  (2020)  Facile synthesis of conjugated microporous polymer with spherical structure for solid phase extraction of phenyl urea herbicides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32381301] [10.1016/j.chroma.2020.461131]
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