Metazachlor Solution in Acetonitrile - 1000μg/mL in Acetonitrile，Uncertainty 2% , CAS No.67129-08-2

CAS: 67129-08-2 Cat. No.: BWY395796 Molecular Weight: 277.75 EC Number: 266-583-0

GRADE & PURITY 1000μg/mL in Acetonitrile，Uncertainty 2%

Synonyms

BRN 0621550 | TPY2K437O4 | 2-Chloro-N-(2,6-dimethylphenyl)-N-[(1H-pyrazol-1-yl)methyl]acetamide | D97499 | SCHEMBL55016 | EINECS 266-583-0 | Metazachlor [BSI:ISO] | METAZACHLOR [ISO] | Metazachlore | BDBM181131 | 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BRN 0621550 | TPY2K437O4 | 2-Chloro-N-(2, 6-dimethylphenyl)-N-[(1H-pyrazol-1-yl)methyl]acetamide | D97499 | SCHEMBL55016 | EINECS 266-583-0 | Metazachlor [BSI:ISO] | METAZACHLOR [ISO] | Metazachlore | BDBM181131 | 2-chloro-N-(2, 6-dimethylphenyl)-N-(pyrazol

Specifications & Purity

1000μg/mL in Acetonitrile，Uncertainty 2%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
• IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
• InChIKey: STEPQTYSZVCJPV-UHFFFAOYSA-N
• INCHI: 1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
• Molecular Weight: 277.75
• Reaxy-Rn: 621550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=621550&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: m-Xylenes Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Chloroacetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Xylene - M-xylene - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Chloroacetamide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic 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: Pyrazole 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

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Arabidopsis thaliana (307 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zea mays (820 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 277.750 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.098 Da
• Monoisotopic Mass: 277.098 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303.000
• 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

References

1. Yi Wu, Liyuan Zhang, Dongjie Zhang, Runzhong Yu.  (2023)  A surface molecularly imprinted microfluidic paper based device with smartphone assisted colorimetric detection for butachlor in mung bean.  FOOD CHEMISTRY,      [PMID:37816277] [10.1016/j.foodchem.2023.137659]