Chlorbenzuron - analytical standard, ≥97% , CAS No.57160-47-1

CAS: 57160-47-1 Cat. No.: C110297 Peso molecular: 308.15

GRADE & PURITY Analytical standard, ≥97%

Synonyms

Chlorobenzuron | HY-B2063 | 2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide | 2-Chloro-N-((4-chlorophenyl)carbamoyl)benzamide | A831333 | 2-Chloro-N-(((4-chlorophenyl)amino)carbonyl)benzamide | Benzamide, 2-chloro-N-(((4-chlorophenyl)amino)carbonyl)- | Be

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Chlorobenzuron | HY-B2063 | 2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide | 2-Chloro-N-((4-chlorophenyl)carbamoyl)benzamide | A831333 | 2-Chloro-N-(((4-chlorophenyl)amino)carbonyl)benzamide | Benzamide, 2-chloro-N-(((4-chlorophenyl)amino)carbonyl)- | Be

Especificaciones y pureza

analytical standard, ≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide
• InChIKey: YPSCQJTUAKNUNF-UHFFFAOYSA-N
• INCHI: 1S/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)Cl
• Peso molecular: 308.15
• Reaxy-Rn: 2753380
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2753380&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas
        • Level5 N-acyl-phenylureas
          • Level6 N-benzoyl-N'-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: N-acyl-phenylureas
• Direct Parent: N-benzoyl-N'-phenylureas
• Alternative Parents: 2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Ureas Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzoyl-n'-phenylurea - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
• External Descriptors: Not available

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is insoluble in water, ethanol, and benzene, but easily soluble in organic solvents such as dimethyl ketone, N, N-dimethylformamide, and pyridine. The solubility in acetone is 1g/100ml.
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 199-201°C
• Peso molecular: 309.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 308.012 Da
• Monoisotopic Mass: 308.012 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 357.000
• 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

Referencias

1. Xiang Li, Xiaofeng Lu, Xiaojing Liang, Zhimin Yang, Shuai Wang, Yong Guo.  (2023)  Preparation and extraction property study of corn cob-like magnetic mosaic carbon materials derived from MOF-on-MOF composites.  ANALYTICA CHIMICA ACTA,      [PMID:38182348] [10.1016/j.aca.2023.342112]

2. Li Dan, Gao Yanmei, Mu Mengyao, Zhu Shiping, Zhang Ning, Lu Minghua.  (2023)  Ionic liquid-modified UiO-66-NH2 as sorbent of dispersive solid-phase extraction for rapid adsorption and enrichment of benzoylurea insecticides.  MICROCHIMICA ACTA,  190  (11): (1-11).  [PMID:37853180] [10.1007/s00604-023-06020-6]

3. 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]

4. Yuecheng Zhao, Chuanshan Zou, Lu Zhang, Chengde Li, Xingpeng Li, Liwen Song.  (2023)  Chlorbenzuron caused growth arrest through interference of glycolysis and energy metabolism in Hyphantria cunea (Lepidoptera: Erebidae) larvae.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:37248002] [10.1016/j.pestbp.2023.105466]

5. Mengyao Mu, Shiping Zhu, Yanmei Gao, Ning Zhang, Youmei Wang, Minghua Lu.  (2023)  Construction of hierarchically porous metal-organic framework HP-UiO-66-30% for sensitive determination of benzoylurea insecticides.  TALANTA,      [PMID:37116361] [10.1016/j.talanta.2023.124540]

6. Xueli Luo, Gengli Huang, Yuchen Li, Jie Guo, Xiaokai Chen, Youwen Tan, Wenzhi Tang, Zhonghong Li.  (2022)  Dual-modes of ratiometric fluorescent and smartphone-integrated colorimetric detection of glyphosate by carbon dots encapsulated porphyrin metal–organic frameworks.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.154368]

7. Ling Mei, Tiantian Si, Shuai Wang, Jie Zhu, Hao Tang, Xiaojing Liang.  (2022)  TiO2@MOF-919(Fe–Cu) as a sorbent for the extraction of benzoylurea pesticides from irrigation water and fruit juices.  Analytical Methods,  14  (33): (3153-3159).  [PMID:35929513] [10.1039/D2AY00842D]

8. Duo Huixiao, Li Yijing, Liang Xiaojing, Wang Shuai, Wang Licheng, Guo Yong.  (2020)  Magnetic 3D hierarchical Ni/NiO@C nanorods derived from metal-organic frameworks for extraction of benzoylurea insecticides prior to HPLC-UV analysis.  MICROCHIMICA ACTA,  187  (1): (1-9).  [PMID:31897612] [10.1007/s00604-019-4013-5]

9. Yong Han, Weixia Yang, Xueli Luo, Xie He, Ying Yu, Chunhua Li, Wenzhi Tang, Tianli Yue, Zhonghong Li.  (2019)  Cu2+-Triggered Carbon Dots with Synchronous Response of Dual Emission for Ultrasensitive Ratiometric Fluorescence Determination of Thiophanate-Methyl Residues.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31618026] [10.1021/acs.jafc.9b04720]

10. Huixiao Duo, Xiaofeng Lu, Shuai Wang, Licheng Wang, Yong Guo, Xiaojing Liang.  (2019)  Synthesis of magnetic metal–organic framework composites, Fe3O4-NH2@MOF-235, for the magnetic solid-phase extraction of benzoylurea insecticides from honey, fruit juice and tap water samples.  NEW JOURNAL OF CHEMISTRY,  43  (32): (12563-12569).  [PMID:] [10.1039/C9NJ01988J]

11. Guang-Wei Li, Xiu-Lin Chen, Xiang-Li Xu, Jun-Xiang Wu.  (2018)  Degradation of sex pheromone and plant volatile components by an antennal glutathione S-transferase in the oriental fruit moth,Grapholita molesta Busck (Lepidoptera: Tortricidae).  ARCHIVES OF INSECT BIOCHEMISTRY AND PHYSIOLOGY,  99  (4): (e21512).  [PMID:30387866] [10.1002/arch.21512]

12. Hongmei Liu, Baogui Ye, Zhongwei Zhao, Mengyun Liu, Fangbin Fan, Caihong Tao.  (2024)  Alien species water hyacinth realizes waste into treasure: The preparation of biomass sorbent to determine benzoylurea insecticides in tea products.  JOURNAL OF SEPARATION SCIENCE,  47  (11): (2300730).  [PMID:38819790] [10.1002/jssc.202300730]

13. Yuecheng Zhao, Lu Zhang, Chuanshan Zou, Huilin Han, Chengde Li, Xingpeng Li, Liwen Song.  (2024)  Chlorbenzuron downregulated HcLCP-17 expression by depressing two 20E-responsive transcription factors Br-C and βFTZ-F1 in Hyphantria cunea (Lepidoptera: Erebidae) larvae.  PEST MANAGEMENT SCIENCE,      [PMID:39212109] [10.1002/ps.8377]

14. Zhenkun Chen, Tian Feng, Xiaomin Cheng.  (2024)  Magnetic nanoparticles coated with a molecularly imprinted polymer via manganese-doped ZnS:Mn quantum dots for the determination of Triflumuron.  Polymer-Plastics Technology and Materials,      [PMID:] [10.1080/25740881.2024.2325419]

15. Xuejing Lou, Yingge Hao, Huina Zhou, Zhen Song, Youmei Wang, Minghua Lu.  (2025)  UiO-66 with missing cluster defects for high-efficient extraction and enrichment of benzoylurea insecticides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39778283] [10.1016/j.chroma.2025.465656]

16. Hongmei Liu, Boyue Zheng, Zhengxue Ge, Mengyun Liu, Caihong Tao, Fangbin Fan.  (2025)  The application of dual-function ionic liquids-hydrogel in the bidirectional non-interference effect of benzoylurea insecticides extraction and dye degradation.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2025.103112]