ChemicalBook--->CAS DataBase List--->86763-47-5

86763-47-5

86763-47-5 Structure

86763-47-5 Structure
IdentificationMore
[Name]

Propisochlor
[CAS]

86763-47-5
[Synonyms]

2-CHLORO-2'-ETHYL-6'-METHYL-N-(ISOPROPOXYMETHYL)ACETANILIDE
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(isopropoxymethyl)acetamide
PROPISOCHLOR
PROPONIT
propisochlor (bsii,pa e-iso)
propisochlore ((m) pa f-iso)
Proponit, 2-Chloro-2μ-ethyl-6μ-methyl-N-(isopropoxymethyl)acetanilide
[Molecular Formula]

C15H22ClNO2
[MDL Number]

MFCD01632345
[Molecular Weight]

283.79
[MOL File]

86763-47-5.mol
Chemical PropertiesBack Directory
[Melting point ]

21.6 °C
[Boiling point ]

>243 °C
[density ]

1.100±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

neat
[pka]

1.30±0.50(Predicted)
[color ]

Dark Yellow
[Henry's Law Constant]

5.6×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Major Application]

agriculture
environmental
[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
[InChIKey]

KZNDFYDURHAESM-UHFFFAOYSA-N
[SMILES]

CCc1cccc(C)c1N(COC(C)C)C(=O)CCl
[LogP]

3.500
[CAS DataBase Reference]

86763-47-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R21:Harmful in contact with skin.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formaldehyde-->Isopropyl alcohol-->Xylene-->Paraformaldehyde-->6-Ethyl-o-toluidine-->Chloroacetyl chloride
Hazard InformationBack Directory
[Uses]

Propisochlor is an herbicide that is absorbed through the shoots of germinating plants.
[Production Methods]

Propisochlor is commercially synthesised through a three-stage process. First, 6-ethyl-o-toluidine reacts with methoxyacetone in the presence of p-toluenesulfonic acid in toluene at 88 °C for 10 hours to form an imine intermediate. Second, this intermediate undergoes hydrogenation under high pressure at 50 DegC in an autoclave to reduce the imine. Finally, the resulting amine is reacted with chloroacetyl chloride in the presence of sodium carbonate in water and toluene to form the final herbicidal compound.
[Mechanism of action]

Inhibits protein synthesis and so blocks cell division, selective, absorbed by shoots of germinating plants. Inhibition of very long chain fatty acids (VLCFA, inhibition of cell division)
[Pesticide Type]

Herbicide
Spectrum DetailBack Directory
[Spectrum Detail]

Propisochlor(86763-47-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

86763-47-5(sigmaaldrich)
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