Acetochlor oxanilic acid

Base Information

• Chemical Name: Acetochlor oxanilic acid
• CAS No.: 194992-44-4
• Molecular Formula: C14H19 N O4
• Molecular Weight: 265.3
• European Community (EC) Number: 690-356-9
• UNII: WG499WTE12
• DSSTox Substance ID: DTXSID1037484
• Nikkaji Number: J906.296C
• Wikidata: Q27156837
• Mol file: 194992-44-4.mol

Synonyms:Acetochlor OA;194992-44-4;Acetochlor oxanilic acid;Acetochlor oxa;WG499WTE12;2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid;Acetic acid, ((ethoxymethyl)(2-ethyl-6-methylphenyl)amino)oxo-;Acetic acid, 2-((ethoxymethyl)(2-ethyl-6-methylphenyl)amino)-2-oxo-;[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino](oxo)acetic acid;[(ethoxymethyl)(2-ethyl-6-methylphenyl)carbamoyl]formic acid;Acetochlor OA, Pestanal;UNII-WG499WTE12;Acetochlor-oxalamic acid (OA);Acetochlor-OXA;Acetic acid, 2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxo-;Acetic acid, [(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]oxo- (9CI);2-[(Ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxoacetic acid;Acetochlor OXA;DTXSID1037484;CHEBI:83451;N-(Ethoxymethyl)-N-(2-ethyl-6-methylphenyl)oxalamic acid;NS00009462;Acetochlor OA, PESTANAL(R), analytical standard;J-012631;Q27156837;Acetochlor-oxalamic acid (OA) 100 microg/mL in Acetonitrile;2-((Ethoxymethyl)(2-ethyl-6-methylphenyl)amino)-2-oxoacetic acid

Chemical Property of Acetochlor oxanilic acid

Chemical Property:

• Vapor Pressure: 5.37E-07mmHg at 25°C
• Refractive Index: 1.557
• Boiling Point: 396.4oC at 760 mmHg
• PKA: -0.05±0.54(Predicted)
• Flash Point: 193.6oC
• PSA: 66.84000
• Density: 1.183g/cm3
• LogP: 1.96900
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

98%Min ^*data from raw suppliers

AcetochlorOA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1N(COCC)C(=O)C(=O)O)C
• Uses: Acetochlor OA is a metabolite of Acetochlor (A162500), which is a chloroacetanilide related herbicide that inhibits elongase and geranylgeranyl pyrophosphate (GGPP) cyclization enzymes. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.