Pendimethaline solution - analytical standard, 10μg/ml,u=2%, in acetone , CAS No.40487-42-1

Name: Pendimethaline solution - analytical standard, 10μg/ml,u=2%, in acetone , CAS No.40487-42-1
SKU: P109942
Availability: InStock

CAS: 40487-42-1 Cat. No.: P109942 分子式: C₁₃H₁₉N₃O₄ 分子量: 281.31 EC番号: 254-938-2

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Pendimethaline solution - analytical standard, 10μg/ml,u=2%, in acetone CAS No(40487-42-1) P109942 by Aladdin Scientific

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GRADE & PURITY Analytical standard ? 10μg/ml,u=2%, in acetone

Synonyms

Storage

Room temperature

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Normal

Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質 Citations of This Product 参考文献ソリューション計算機レビュー

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Why this grade

analytical standard, 10μg/ml,u=2%, in acetone 分析用標準物質 for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

仕様と純度

analytical standard, 10μg/ml,u=2%, in acetone

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

パブケム・シド	528769721
カノニカル・スマイル	CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
IUPAC Name	3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
InChIKey	CHIFOSRWCNZCFN-UHFFFAOYSA-N
INCHI	1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
異性体SMILES	CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
UN番号	3077
包装グループ	III
分子量	281.31
Reaxy-Rn	2157711
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2157711&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

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	Dinitroanilines
Alternative Parents	Nitrotoluenes Nitrobenzenes o-Xylenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitroaniline - Nitrobenzene - Nitrotoluene - Phenylalkylamine - Nitroaromatic compound - Xylene - O-xylene - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic zwitterion - Amine - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors	Dinitroaniline herbicides
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

3 D構造

関連ターゲット（非人間）

Cryptosporidium parvum (1150 Activities)

Lot Number	Certificate Type	日付	商品
A2206462	Certificate of Analysis	Jul 15, 2025	P109942
B1619130	Certificate of Analysis	Apr 09, 2025	P109942

融点（°C）	54-58°C
分子量	281.310 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	281.138 Da
Monoisotopic Mass	281.138 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	349.000
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

1. Chang Wang, Shihao Zhou, Qingqiang Cui, Mengya Zhang, Linqi Zheng, Shuang Li, Xiangdong Liu, Ming Chen. (2023) Self-floating g-C3N4/h-BN/Au photo-thermal catalysts with unprecedented thermostability at solar-activated heating condition for reusable degradation of organic pollutants. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2023.123491]
2. Ferry Saputra, Michael Edbert Suryanto, Gilbert Audira, Cao Thang Luong, Chih-Hsin Hung, Marri Jmelou Roldan, Ross D. Vasquez, Chung-Der Hsiao. (2023) Using DeepLabCut for markerless cardiac physiology and toxicity estimation in water fleas (Daphnia magna). AQUATIC TOXICOLOGY, [PMID:37689033] [10.1016/j.aquatox.2023.106676]
3. Xu Jinmeng, Zhang Yan, Wu Kaiqing, Zhang Lina, Ge Shenguang, Yu Jinghua. (2017) A molecularly imprinted polypyrrole for ultrasensitive voltammetric determination of glyphosate. MICROCHIMICA ACTA, 184 (7): (1959-1967). [PMID:] [10.1007/s00604-017-2200-9]
4. Jingfang Guo, Feng Zhao, Zhenhui Yue, Zhen Lei. (2024) Acetylcholinesterase-free colorimetric sensing platform for carbosulfan detection based on hollow PDA/MnO2 nanozyme. FOOD CHEMISTRY, [PMID:39571438] [10.1016/j.foodchem.2024.142075]
5. Hou Guorong, Yun Yanjing, Wang Minqiang, Wang Ying, Chen Hao, Zhang Longcheng, Wang Feng, Xia Qingyou, Liu Yang, Lu Zhisong, Bao Shu-Juan. (2019) A coaxial nanocable textured by a cerium oxide shell and carbon core for sensing nitric oxide. MICROCHIMICA ACTA, 186 (12): (1-8). [PMID:31732798] [10.1007/s00604-019-3839-1]
6. Xiangying Li, Qiushuo Li, Qiong Xu, Meifen Huang, Weili Li, Qiong Wu, Hao Ai, Degen Li, Haijun Pang. (2026) Exploration of complex-based probe for pesticide residue detection: Specific recognition achieved via the synergistic effect of coordination water and supramolecular chains. FOOD CHEMISTRY, [PMID:41499899] [10.1016/j.foodchem.2025.147837]

Pendimethaline solution - analytical standard, 10μg/ml,u=2%, in acetone , CAS No.40487-42-1

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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