Propisochlor - analytical standard, ≥94% , CAS No.86763-47-5

CAS: 86763-47-5 Cat. No.: P114921 Formula: C₁₅H₂₂ClNO₂ Peso molecolare: 283.79 Numero EC: 617-914-6

GRADE & PURITY Analytical standard, ≥94%

Synonyms

DTXSID2058205 | Propisochlor, PESTANAL(R), analytical standard | 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide | Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)- | AS-81806 | 1ST22401 | PROPIZOCHLOR | Prop

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID2058205 | Propisochlor, PESTANAL(R), analytical standard | 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide | Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)- | AS-81806 | 1ST22401 | PROPIZOCHLOR | Prop

Specifiche e purezza

analytical standard, ≥94%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥94%

Nomi e identificatori

• Pubchem Sid: 528771712
• Sorrisi canonici: CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C
• IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
• InChIKey: KZNDFYDURHAESM-UHFFFAOYSA-N
• INCHI: 1S/C15H22ClNO2/c1-5-13-8-6-7-12(4)15(13)17(14(18)9-16)10-19-11(2)3/h6-8,11H,5,9-10H2,1-4H3
• Isomeri SMILES: CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C
• WGK Germania: 3
• Peso molecolare: 283.79
• Reaxy-Rn: 9130804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9130804&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 Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Toluene - Tertiary carboxylic acid amide - Chloroacetamide - Carboxamide group - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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: Not available

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

Proprietà chimiche e fisiche

• Peso molecolare: 283.790 g/mol
• XLogP3: 3.900
• 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: 283.000
• 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

Riferimenti

1. Bu Ziyun, Si Qiankang, Lu Xiaolin, Wang Pei, Wu Dezhen, Mei Yingying.  (2025)  Monolithic capillary electrochromatographic system based on gold nanoparticles and chitosan chiral molecularly imprinted polymers for enantioseparation of metolachlor and separation of structural analogs.  MICROCHIMICA ACTA,  192  (5): (1-14).  [PMID:40205242] [10.1007/s00604-025-07142-9]