Buturon Solution in Methanol - 1000μg/mL in Methanol,Uncertainty:2% , CAS No.3766-60-7

CAS: 3766-60-7 Cat. No.: BWY396135 Peso molecular: 236.7 Beilstein Registry Number: 2941811 Número EC: 223-187-2

GRADE & PURITY 1000μg/mL in Methanol,Uncertainty:2%

Synonyms

BUTURON|3766-60-7|Butyron|Eptapur|Arisan|HS 95|H 95|3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea|N'-(4-Chlorophenyl)-N-isobutinyl-N-methylurea|1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea|1-(4-Chlorophenyl)-3-methyl-3-(1-methyl-2-propynyl)ur

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BUTURON | 3766-60-7 | Butyron | Eptapur | Arisan | HS 95 | H 95 | 3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea | N'-(4-Chlorophenyl)-N-isobutinyl-N-methylurea | 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea | 1-(4-Chlorophenyl)-3-methyl-3-(1-methyl-2-propynyl)ur

Especificaciones y pureza

1000μg/mL in Methanol, Uncertainty:2%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
• IUPAC Name: 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea
• InChIKey: BYYMILHAKOURNM-UHFFFAOYSA-N
• INCHI: 1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)
• Isómeros SMILES: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
• WGK Alemania: 3
• RTECS: YS6475000
• Peso molecular: 236.7
• Beilstein: 2941811
• Reaxy-Rn: 2941811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Chlorobenzenes Aryl chlorides Ureas Acetylides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Carbonic acid derivative - Acetylide - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This 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

Data 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de inflamación (°F): >100 °C
• Punto de inflamación (°C): >100°C
• Peso molecular: 236.700 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.072 Da
• Monoisotopic Mass: 236.072 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. 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]

2. 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]

3. 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]

4. 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]

5. 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]

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10. 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,  1  (5): (359-366).  [PMID:] [10.1002/sscp.201700029]

11. 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]

12. 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]

13. 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]

14. 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]

15. 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,  7  (5): (1097-1102).  [PMID:] [10.1007/s12161-013-9719-0]

16. 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]

17. 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]

18. 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]

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