ピリメタニル - 分析標準、≥98.5 , CAS No.53112-28-0

CAS: 53112-28-0 Cat. No.: P110000 分子式: C₁₂H₁₃N₃ 分子量: 199.25 Beilstein Registry Number: 151589 EC番号: 414-220-3

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine | HY-B2033 | N-(4,6-dimethylpyrimidin-2-yl)aniline | STK693289 | EN300-651703 | PYRIMETHANIL [MI] | 6IA5HP6C8Z | 4,6-dimethyl-N-phenyl-2-pyrimidinamine | AC-12527 | Tox21_300808 | 12B-067 | DTXSID8034877 | Pyrime

Storage

Room temperature

Shipped In

ノーマル

概要

ピリメタニルは、幅広いスペクトラムを有するアニリノピリミジン系の葉面殺菌剤である。ボトリティス・シネレア菌のメチオニン生合成を阻害する。
幅広いスペクトルのアニリノピリミジン系葉面殺菌剤。

Specifications

同義語

4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine | HY-B2033 | N-(4,6-dimethylpyrimidin-2-yl)aniline | STK693289 | EN300-651703 | PYRIMETHANIL [MI] | 6IA5HP6C8Z | 4,6-dimethyl-N-phenyl-2-pyrimidinamine | AC-12527 | Tox21_300808 | 12B-067 | DTXSID8034877 | Pyrime

仕様と純度

分析標準、≥98.5

保管条件

Room temperature

入荷

ノーマル

等級

分析用標準物質

純度

≥98.5%

名前と識別子

• パブケム・シド: 504756081
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756081
• カノニカル・スマイル: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
• IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine
• InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
• INCHI: 1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
• 異性体SMILES: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
• WGKドイツ: 2
• UN番号: 3077
• 分子量: 199.25
• Beilstein: 151589
• Reaxy-Rn: 151589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=151589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Aminopyrimidines and derivatives Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Pyrimidine fungicides

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

関連ターゲット（人間）

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 93.3°C
• 分子量: 199.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.111 Da
• Monoisotopic Mass: 199.111 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• 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

参考文献

1. Suling Zhang, Ziluo Hua, Hongting Zhao, Weixuan Yao, Yuanzhao Wu, Defeng Fu, Jiancong Sun.  (2021)  Defective Zr-based metal–organic frameworks as sorbent for the determination of fungicides in environmental water samples by rapid dispersive micro-solid-phase extraction coupled to liquid chromatography/mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  44  (10): (2113-2120).  [PMID:33721403] [10.1002/jssc.202001240]

2. Zhengdong Shen, Qinzhen Fan, Qian Yu, Rui Wang, Huan Wang, Xianming Kong.  (2020)  Facile detection of carbendazim in food using TLC-SERS on diatomite thin layer chromatography.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:33086143] [10.1016/j.saa.2020.119037]

3. Weixuan Yao, Zhefeng Fan, Suling Zhang.  (2019)  Preparation of metal-organic framework UiO-66-incorporated polymer monolith for the extraction of trace levels of fungicides in environmental water and soil samples.  JOURNAL OF SEPARATION SCIENCE,  42  (16): (2679-2686).  [PMID:31177628] [10.1002/jssc.201900168]

4. Jiale Yang, Chen Fan, Gang Tang, Wenbing Zhang, Hongqiang Dong, You Liang, Yanfei Wang, Mingqiang Zou, Yongsong Cao.  (2018)  Relationship between the Structure of Ionic Liquid and Its Enrichment Ability To Trace Fungicides from an Environmental Water Sample.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:30133274] [10.1021/acs.jafc.8b03244]

5. Kaiqiang Wang, Da-Wen Sun, Hongbin Pu, Qingyi Wei.  (2018)  Surface-enhanced Raman scattering of core-shell Au@Ag nanoparticles aggregates for rapid detection of difenoconazole in grapes.  TALANTA,      [PMID:30262083] [10.1016/j.talanta.2018.08.005]

6. Xuan Zhao, Mengsong Chen, Hanxin Mao, Chuanqing Zhang, Jianyan Wu.  (2024)  Genetic structure and pyrimethanil resistance of Botrytis spp. causing gray mold on strawberry from greenhouses in Zhejiang, China.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:39477582] [10.1016/j.pestbp.2024.106128]

7. Wenying Ding, Bingfeng Chen, Minglong Song, Meng Liu, Binghai Lv, Danyan Qiu, Yuke Zhu, Zhenyan Zhang, Mengwei Zhang, Rongshe Zhang, Tao Lu, Haifeng Qian.  (2025)  Different effects of heterocyclic compounds on the diversity and functions of soil microbiota.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41175752] [10.1016/j.jhazmat.2025.140318]

よくある質問

What is the purity of this product?

This product is supplied at ≥98.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53112-28-0, the molecular formula is C12H13N3, and the molecular weight is 199.25 g/mol. InChIKey ZLIBICFPKPWGIZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.