Crufomate

Base Information

• Chemical Name: Crufomate
• CAS No.: 299-86-5
• Deprecated CAS: 150402-57-6
• Molecular Formula: C12H19 Cl N O3 P
• Molecular Weight: 291.715
• Hs Code.: 29299090
• European Community (EC) Number: 206-083-1
• ICSC Number: 1143
• NSC Number: 253463
• UN Number: 2783
• UNII: V82Q65924L
• DSSTox Substance ID: DTXSID1037515
• Nikkaji Number: J5.472K
• Wikipedia: Crufomate
• Wikidata: Q20983235
• NCI Thesaurus Code: C75214
• ChEMBL ID: CHEMBL1880767
• Mol file: 299-86-5.mol

Synonyms:crufomate;Ruelene;Ruerene

Chemical Property of Crufomate

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 60℃
• Refractive Index: nD20 1.5142
• Boiling Point: 333.2°Cat760mmHg
• PKA: 0.05±0.70(Predicted)
• Flash Point: 155.3°C
• PSA: 57.37000
• Density: 1.176g/cm³
• LogP: 4.38110
• Water Solubility.: 4.975g/L(temperature not stated)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 291.0791082
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

99%, ^*data from raw suppliers

Crufomate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TLV: 5 mg/m³.
• Hazard Codes: Xn,N
• Statements: 21/22-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the nervous system. This may result in convulsions and respiratory failure. Cholinesterase inhibition. The effects may be delayed. Medical observation is indicated.
• Uses: Crufomate is an organophosphate pesticide. Crufomate is an anthelmintic that functions as a potent inhibitor of an acetylcholinesterase in the anterior end of the worms. Crufomate is also used to comb at bovine hypodermatosis. Systemic insecticide and anthelmintic. Crufomate is an organophosphate pesticide. Crufomate is an anthelmintic that functions as a potent inhibitor of an acetylcholinesterase in the anterior end of the worms. Crufomate is also used to combat bovine hypodermatosis.

Technology Process of Crufomate

There total 2 articles about Crufomate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanol (67-56-1) + C10H12Cl3O2P (15516-32-2) → crufomate (299-86-5)

Guidance literature:

With dichloromethane; anschliessendes Behandeln mit Methylamin;

Reference yield:

→ crufomate (299-86-5)

Guidance literature:

entspr. Phosphorodichloridat, 1) Me., 2) NH2Me;

DOI:10.1021/bi00898a015

Reference yield:

crufomate (299-86-5) → (+)-crufomate + (-)-crufomate

Guidance literature:

With Lux cellulose-1 column; In hexane; isopropyl alcohol; at 20 ℃; Solvent; Reagent/catalyst; Temperature; Thermodynamic data; Resolution of racemate;

DOI:10.14233/ajchem.2013.12908

upstream raw materials:

methanol

C₁₀H₁₂Cl₃O₂P