Dichloroprop-P - analytical standard , CAS No.15165-67-0

CAS: 15165-67-0 Cat. No.: D114657 分子式: C₉H₈Cl₂O₃ 分子量: 235.06 Beilstein Registry Number: 5265110 EC番号: 403-980-1

GRADE & PURITY Analytical standard

Synonyms

FTV | GTPL5277 | A884073 | F20623 | DTXSID0034851 | EC 403-980-1 | Optica DP | Tox21_303875 | 0UD1MQP96O | AKOS024262245 | (+)-2-(2,4-dichlorophenoxy)propanoic acid | D-dichlorprop | DICHLORPROP R-(+)-FORM [MI] | Dichlorprop-P [ISO:BSI] | (+)-Dichlorprop

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FTV | GTPL5277 | A884073 | F20623 | DTXSID0034851 | EC 403-980-1 | Optica DP | Tox21_303875 | 0UD1MQP96O | AKOS024262245 | (+)-2-(2,4-dichlorophenoxy)propanoic acid | D-dichlorprop | DICHLORPROP R-(+)-FORM [MI] | Dichlorprop-P [ISO:BSI] | (+)-Dichlorprop

仕様と純度

analytical standard

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: 528774493
• カノニカル・スマイル: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: (2R)-2-(2,4-dichlorophenoxy)propanoic acid
• InChIKey: MZHCENGPTKEIGP-RXMQYKEDSA-N
• INCHI: 1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
• 異性体SMILES: C[C@H](C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
• WGKドイツ: 1
• RTECS: UA2458860
• 分子量: 235.06
• Beilstein: 5265110
• Reaxy-Rn: 3203103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3203103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenoxypropionic acids
• Alternative Parents: Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
• External Descriptors: 2-(2,4-dichlorophenoxy)propanoic acid

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 121-123°C
• 分子量: 235.060 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.985 Da
• Monoisotopic Mass: 233.985 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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. Long Zhang, Man Song, Zhenbo Mao, Yuan Liu, Feng Li, Jiandong Jiang, Kai Chen.  (2022)  A new enantioselective dioxygenase for the (S)-enantiomer of the chiral herbicide dichlorprop in Sphingopyxis sp. DBS4.  INTERNATIONAL BIODETERIORATION & BIODEGRADATION,      [PMID:] [10.1016/j.ibiod.2022.105511]

2. Shunli Hu, Guiping Liu, Long Zhang, Yufeng Gan, Baozhan Wang, Shiri Freilich, Jiandong Jiang.  (2021)  A Synergistic Consortium Involved in rac-Dichlorprop Degradation as Revealed by DNA Stable Isotope Probing and Metagenomic Analysis.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,  87  (22):   [PMID:34524896] [10.1128/AEM.01562-21]

3. Xinyu Lin, Shifeng Ding, Wanxin Li, Bingang Yang, Yahua Chen, Zhenguo Shen, Jiandong Jiang, Chen Chen, Xihui Xu.  (2026)  Metabolic Modelling Facilitates the Design of Synthetic Communities by Simplifying Natural Microbial Communities.  ENVIRONMENTAL MICROBIOLOGY,  28  (8): (e70404).  [PMID:] [10.1111/1462-2920.70404]