Vernolate

Base Information

• Chemical Name: Vernolate
• CAS No.: 1929-77-7
• Molecular Formula: C10H21 N O S
• Molecular Weight: 203.349
• Hs Code.: 29302000
• European Community (EC) Number: 217-681-7
• UNII: E78ZFF4KQ0
• DSSTox Substance ID: DTXSID7024376
• Nikkaji Number: J1.788D
• Wikidata: Q3555984
• ChEMBL ID: CHEMBL1865907
• Mol file: 1929-77-7.mol

Synonyms:S,N,N'-tripropylthiocarbamate;Vernam

Chemical Property of Vernolate

Chemical Property:

• Vapor Pressure: 0.00596mmHg at 25°C
• Melting Point: <25℃
• Refractive Index: 1.4736 (589.3 nm 30℃)
• Boiling Point: 272.8°Cat760mmHg
• PKA: -1.19±0.70(Predicted)
• Flash Point: 118.8°C
• PSA: 45.61000
• Density: 0.959g/cm³
• LogP: 3.37160
• Storage Temp.: 0-6°C
• Water Solubility.: 107mg/L(21 oC)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 203.13438547
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

Vernolate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-51/53-36
• Safety Statements: 61-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Thiocarbamate
• Canonical SMILES: CCCN(CCC)C(=O)SCCC
• Uses: Vernolate is used as pesticide. Herbicide.

Technology Process of Vernolate

There total 7 articles about Vernolate 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:

4-Chlorobenzenesulfonamide (98-64-6) + chloroformic acid ethyl ester (541-41-3) → N-(4-chlorobenzenesulfonyl)-ethyl carbamate + Vernolate (1929-77-7)

Guidance literature:

With potassium carbonate; In water; acetone;

Reference yield:

O-propyl dipropylthiocarbamate → Vernolate (1929-77-7)

Guidance literature:

With dimethyl sulfate;

Reference yield:

N,N-dipropylcarbamoyl chloride (27086-19-7) → Vernolate (1929-77-7)

Guidance literature:

With xylene;

DOI:10.1021/ja01512a052

upstream raw materials:

carbon monoxide

1-iodo-propane

di-n-propylamine

N,N-dipropylcarbamoyl chloride

Downstream raw materials:

propylamine

Refernces

• 1、 -. "Soluble polymer based matrix for chemically active water insoluble components". . . Retrieved 2008/06/13.
• 2、 Mizuno, Takumi,Nishiguchi, Ikuzo,Hirashima, Tsuneaki. "REACTIONS OF UNSTABLE DIALKYLCARBAMOYL LITHIUMS WITH SULFUR COMPOUNDS". . p. 2403 - 2412. Retrieved 2007/10/02.