Paclobutrazol solution - analytical standard, 100ug/ml in methanol , CAS No.76738-62-0

CAS: 76738-62-0 Cat. No.: P109933 Peso molecular: 293.79 Número EC: 616-379-6

GRADE & PURITY Analytical standard, 100ug/ml in methanol

Synonyms

CHEBI:139345 | Paclobutrazol 100 microg/mL in Acetonitrile | ?-tert-Butyl-?-(4-chlorobenzyl)-1H-1,2,4-triazole-1-ethanol (Paclobutrazol) | alpha-tert-Butyl-beta-(4-chlorobenzyl)-1H-1,2,4-triazole-1-ethanol | Paclobutrazol 1000 microg/mL in Acetone | Paclo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CHEBI:139345 | Paclobutrazol 100 microg/mL in Acetonitrile | ?-tert-Butyl-?-(4-chlorobenzyl)-1H-1, 2, 4-triazole-1-ethanol (Paclobutrazol) | alpha-tert-Butyl-beta-(4-chlorobenzyl)-1H-1, 2, 4-triazole-1-ethanol | Paclobutrazol 1000 microg/mL in Acetone | Paclo

Especificaciones y pureza

analytical standard, 100ug/ml in methanol

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
• IUPAC Name: (2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
• InChIKey: RMOGWMIKYWRTKW-KGLIPLIRSA-N
• INCHI: 1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1
• Isómeros SMILES: CC(C)(C)[C@H]([C@@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
• Número ONU: 1325
• Peso molecular: 293.79
• Reaxy-Rn: 885218
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=885218&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Amphetamine or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 165-166°C
• Peso molecular: 293.790 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 293.129 Da
• Monoisotopic Mass: 293.129 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Jiaxin Zhang, Tingting Feng, Jiayu Zhang, Ning Liang, Longshan Zhao.  (2021)  Fluorescence assay for the sensitive detection of fipronil based on an “on–off” oxidized SWCNH/aptamer sensor.  Analytical Methods,  13  (29): (3282-3291).  [PMID:34226905] [10.1039/D1AY00769F]

2. Yu Kunzi, Liu Wei, Zhang Nanping, Cheng Xianlong, Zhou Shiyu, Zuo Tiantian, Kang Shuai, Wei Feng, Ma Shuangcheng.  (2021)  A Novel Method to Identify Three Quality Grades of Herbal Medicine Ophiopogonis Radix by Microscopic Quantification.  Frontiers in Pharmacology,      [PMID:33584266] [10.3389/fphar.2020.591310]

3. Jing Zhao, Zhaorui Meng, Zexin Zhao, Longshan Zhao.  (2019)  Ultrasound-assisted deep eutectic solvent as green and efficient media combined with functionalized magnetic multi-walled carbon nanotubes as solid-phase extraction to determine pesticide residues in food products.  FOOD CHEMISTRY,      [PMID:31835214] [10.1016/j.foodchem.2019.125863]

4. Yulong Wang, Junli Xu, Yulou Qiu, Pan Li, Beibei Liu, Lifei Yang, Bogdan Barnych, Bruce D. Hammock, Cunzheng Zhang.  (2019)  Highly Specific Monoclonal Antibody and Sensitive Quantum Dot Beads-Based Fluorescence Immunochromatographic Test Strip for Tebuconazole Assay in Agricultural Products.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31356079] [10.1021/acs.jafc.9b02832]

5. Peng He, Liping Zhu, Xin Zhou, Xuan Fu, Yu Zhang, Peng Zhao, Bin Jiang, Huiqin Wang, Guanghui Xiao.  (2024)  Gibberellin acid promotes single-celled fiber elongation through the activation of two signaling cascades in cotton.  DEVELOPMENTAL CELL,      [PMID:38359829] [10.1016/j.devcel.2024.01.018]

6. Zhihui Guo, Mingya Deng, Wenwen Fang, Kang Zheng, Min Liao, Yulong Wang, Qingkui Fang.  (2024)  Quantitative determination of prothioconazole in wheat grain, soybean, and pond water based on a polyclonal antibody.  Analytical Methods,      [PMID:38855900] [10.1039/D4AY00441H]

7. Rui Cheng, Yiqun Wan, Xuejin Mao, Hao Wan, Fan Liu, Lan Guo, Bingzhen Zhang.  (2024)  Regulating the defects of MIL-101(Cr) for the efficient and simultaneous determination of eleven plant growth regulators in fresh fruit juice.  FOOD CHEMISTRY,      [PMID:38341916] [10.1016/j.foodchem.2024.138666]

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9. Tailong Wei, Xiao Chen, Chong Cai, Yuanzhen Guo, Mengjun Zhou, Qiannan Gao, Qinghua He.  (2025)  SpyTagged Mimotope Peptide Mediated Competitive Antigen-Based Rapid Quantitative Immunoassays for Uniconazole Residue.  Foods,  14  (24):   [PMID:41465064] [10.3390/foods14244358]

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11. Xiaowen Hou, Shengnan Jiang, XueLian Qin, Yuhao Xiong, Zhengyi Chen.  (2026)  Rapid, Simple and Matrix-Versatile Determination of Paclobutrazol in Complex Samples Using Salting-Out Assisted Liquid–Liquid Extraction Preconcentration and High-Performance Liquid Chromatography With Ultraviolet Detection.  Separation Science Plus,  9  (4): (e70218).  [PMID:] [10.1002/sscp.70218]