S-Metolachlor - ≥98% , CAS No.87392-12-9

CAS: 87392-12-9 Cat. No.: S354463 Formula: C₁₅H₂₂ClNO₂ Peso molecolare: 283.79 Numero EC: 618-004-1

GRADE & PURITY ≥98%

Synonyms

(S)-N-chloroacetyl-N-(1-methoxyprop-2-yl)-2-methyl-6-ethylphenylamine | UNII-1O4NMK7I6H | Dual II Magnum | Q27157051 | SCHEMBL118065 | S-Metolachlor [ISO] | alpha-Metolachlor | HMS2856F10 | AKOS015899745 | 1O4NMK7I6H | 2-Chloro-N-(2-ethyl-6-methylphenyl)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

S-Metolachlor is a herbicide and an isomer of metolachlor, which can be used for selective grass weed control, and it can reduce the chemical load to the environment likewise give good efficiency.

Specifications

Sinonimi

(S)-N-chloroacetyl-N-(1-methoxyprop-2-yl)-2-methyl-6-ethylphenylamine | UNII-1O4NMK7I6H | Dual II Magnum | Q27157051 | SCHEMBL118065 | S-Metolachlor [ISO] | alpha-Metolachlor | HMS2856F10 | AKOS015899745 | 1O4NMK7I6H | 2-Chloro-N-(2-ethyl-6-methylphenyl)-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
• IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
• InChIKey: WVQBLGZPHOPPFO-LBPRGKRZSA-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/t12-/m0/s1
• Isomeri SMILES: CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C
• WGK Germania: 2
• Numero UN: 3082
• Gruppo di imballaggio: III
• Peso molecolare: 283.79
• 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
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

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

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Discover Target: CYP3A4

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): -61.1° C
• Peso molecolare: 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: 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