Paclobutrazol in Methanol - 1000μg/mL in Methanol , CAS No.76738-62-0

CAS: 76738-62-0 Cat. No.: P283752 Peso molecular: 293.79 Número EC: 616-379-6

GRADE & PURITY 1000μg/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 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Application
This standard substance can be used as a working standard for daily analysis and testing; it can also be used for laboratory quality control such as testing method evaluation and instrument calibration.

Sample Preparation

This standard substance is prepared by using the purity standard substance paclobutrazol as the solute, methanol as the solvent, and the weight-volume method in a clean laboratory at room temperature of 20±3°C.

Characteristic value and expanded uncertainty

Component	Standard value	Expanded uncertainty (k=2)	Matrix
Paclobutrazol	1000μg/mL	3%	methanol

It is mainly synthesized by the uncertainty of raw material purity, weighing, constant volume, uniformity, and long-term stability.

Packaging, storage and use

Packaging: This standard material is packaged, and the specification 1.2mL should be protected from shattering when carried or transported. Storage and use: Keep it under refrigerated airtight and protected from light. Before use, it should be balanced at room temperature (20±3℃) and shake well to ensure uniformity. Once the ampoule is opened, it should be used immediately. It cannot be used as a standard substance after being re-sealed. Strictly prevent contamination during use.

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

1000μg/mL in Methanol

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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)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

• 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]

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6. 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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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]