Metolachlor - ≥97% , CAS No.51218-45-2

CAS: 51218-45-2 Cat. No.: M777366 Molecular Weight: 283.79 Beilstein Registry Number: 8396147 EC Number: 257-060-8

GRADE & PURITY ≥97%

Synonyms

2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Metolachlor is a commonly used chloroacetamide preemergent pesticide, which can be used for weed control management in a variety of food crops. It can undergo degradation in soil via microbial transformation reactions and hydrolytic reactions.

Specifications

Synonyms

2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
• IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
• InChIKey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
• INCHI: 1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
• Isomeric SMILES: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
• WGK Germany: 2
• RTECS: AN3430000
• Molecular Weight: 283.79
• Beilstein: 8396147
• Reaxy-Rn: 2743537
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2743537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Toluenes Tertiary carboxylic acid amides Chloroacetamides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Toluene - Chloroacetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Anilide herbicides

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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Air sensitive ；Heat sensitive
• Refractive Index: 1.526-1.529
• Flash Point(°C): 190 °C
• Boil Point(°C): 100°C
• Melt Point(°C): -62.1 °C
• Molecular Weight: 283.790 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 283.134 Da
• Monoisotopic Mass: 283.134 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zepeng Li, Yuxiang Wu, Zijing Li, Binger Yu, Xinyi Mao, Guoqing Shi.  (2023)  A lateral flow immunoassay method for the rapid detection of acetochlor and alachlor in vegetable oil by sensitivity enhancement by using dimethyl-β-cyclodextrin.  Analytical Methods,  15  (38): (5087-5094).  [PMID:37747357] [10.1039/D3AY01379K]

2. Dahu Ding, Shengjiong Yang, Xiaoyong Qian, Liwei Chen, Tianming Cai.  (2019)  Nitrogen-doping positively whilst sulfur-doping negatively affect the catalytic activity of biochar for the degradation of organic contaminant.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.118348]

3. Chao Liu, Liwei Chen, Dahu Ding, Tianming Cai.  (2019)  From rice straw to magnetically recoverable nitrogen doped biochar: Efficient activation of peroxymonosulfate for the degradation of metolachlor.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.05.014]

4. Chao Liu, Liwei Chen, Dahu Ding, Tianming Cai.  (2019)  Sulfate radical induced catalytic degradation of metolachlor: Efficiency and mechanism.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.03.001]

5. Zhijuan Tang, Shaosong Shi, Ruixia Niu, Yulu Zhou, Zhao Wang, Rongrong Fu, Rui Mou, Suming Chen, Pingtao Ding, Guoyong Xu.  (2024)  Alleviating protein-condensation-associated damage at the endoplasmic reticulum enhances plant disease tolerance.  Cell Host & Microbe,      [PMID:39111320] [10.1016/j.chom.2024.07.013]