3,5-Dichlorophenyl isocyanate

Base Information

• Chemical Name: 3,5-Dichlorophenyl isocyanate
• CAS No.: 34893-92-0
• Molecular Formula: C7H3Cl2NO
• Molecular Weight: 188.013
• Hs Code.: 29291090
• European Community (EC) Number: 252-276-9
• DSSTox Substance ID: DTXSID2067878
• Nikkaji Number: J30.182E
• Mol file: 34893-92-0.mol

Synonyms:1,3-Dichloro-5-isocyanatobenzene;3,5-Dichloro-1-isocyanatobenzene;

Chemical Property of 3,5-Dichlorophenyl isocyanate

Chemical Property:

• Appearance/Colour: white to slightly yellow low melting solid
• Vapor Pressure: 0.00986mmHg at 25°C
• Melting Point: 32-34 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 107.5 °C
• PSA: 29.43000
• Density: 1.38 g/cm³
• LogP: 2.96070
• Storage Temp.: -20°C Freezer
• Sensitive.: Moisture Sensitive
• Solubility.: decomposes
• Water Solubility.: decomposes
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.9591691
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dichloro-5-isocyanatobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, T+
• Hazard Codes: T,T+
• Statements: 23/24/25-36/37/38-42-26
• Safety Statements: 26-27-36/37/39-45-38-37/39-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)N=C=O
• Uses: 3,5-Dichlorophenyl isocyanate is used as an intermediate for medicine and in iprodione. It is also useful for proteomic research.

Technology Process of 3,5-Dichlorophenyl isocyanate

There total 11 articles about 3,5-Dichlorophenyl isocyanate 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: 100.0%

→ 3,4-dichlorophenyl isocyanate (34893-92-0)

Guidance literature:

In 1,4-dioxane; Alkaline conditions;

Reference yield: 95.6%

phosgene (75-44-5) + 3,5-Dichloroaniline (626-43-7) → 3,4-dichlorophenyl isocyanate (34893-92-0)

Guidance literature:

With triethylamine; In toluene; at 46 - 110 ℃; for 7.75h;

Reference yield:

procymidon (32809-16-8) → C13H11Cl2NO2 + C13H11Cl2NO3 + C10H11Cl2NO + C13H13Cl2NO2 + C12H13Cl2NO2 + C13H11Cl2NO2 + C13H15Cl2NO2 + C12H11Cl2NO2 + 3,4-dichlorophenyl isocyanate (34893-92-0) + 3,5-Dichloroaniline (626-43-7)

Guidance literature:

In water; at 25 ℃; for 0.25h; UV-irradiation;

DOI:10.1002/rcm.6598

upstream raw materials:

3-(3,5-dichlorophenyl)-5-methyl-5-vinyloxazolidine-2,4-dione

3,5-dichloroaniline hydrochloride

bis(trichloromethyl) carbonate

3,5-Dichloroaniline

Downstream raw materials:

N-(3,5-dichloro-phenyl)-N'-(5-nitro-[2]pyridyl)-urea

4-(3,5-dichlorophenyl)-1-(methoxycarbonyl)semicarbazide

(7AR,6R)-2-(3,5-dichloro-phenyl)-6-(4-bromobenzyloxy)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione

Refernces

Photochemistry of vinclozolin in water and methanol-water solution

10.1002/(SICI)1096-9063(199911)55:11<1116::AID-PS65>3.0.CO;2-Y

The research aims to investigate the photodegradation of the fungicide vinclozolin in aqueous and methanol-water solutions. The study exposed vinclozolin to UV light at 254nm, resulting in significant substrate transformation within 10 minutes, with less than 90% and ≤95% transformation in water and methanol-water solutions, respectively. The half-lives for dissipation of vinclozolin in these environments were calculated to be 1.01 and 2.0 minutes, respectively. The research concluded that photolysis leads to the opening of the 2,4-oxazolidine-dione ring, forming 3,5-dichlorophenyl isocyanate and 3,5-dichloroaniline, along with dechlorination and the elimination of the -CH=CH2 moiety.