Chloroneb

Base Information

• Chemical Name: Chloroneb
• CAS No.: 2675-77-6
• Molecular Formula: C8H8 Cl2 O2
• Molecular Weight: 207.056
• Hs Code.: 2909309013
• European Community (EC) Number: 220-222-3
• NSC Number: 151546
• UN Number: 3077
• UNII: 1U6950BY9X
• DSSTox Substance ID: DTXSID2024793
• Nikkaji Number: J3.036H
• Wikidata: Q15632753
• Metabolomics Workbench ID: 67663
• ChEMBL ID: CHEMBL3183369
• Mol file: 2675-77-6.mol

Synonyms:chloroneb

Chemical Property of Chloroneb

Chemical Property:

• Appearance/Colour: beige powder
• Vapor Pressure: 0.0121mmHg at 25°C
• Melting Point: 133-135 ºC
• Refractive Index: 1.5537 (estimate)
• Boiling Point: 268 ºC
• Flash Point: 105.7 °C
• PSA: 18.46000
• Density: 1.283 g/cm³
• LogP: 3.01060
• Storage Temp.: 0-6°C
• Water Solubility.: <0.01 g/100 mL at 23℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9901349
• Heavy Atom Count: 12
• Complexity: 127
• Transport DOT Label: Class 9

Purity/Quality:

98% or more ^*data from raw suppliers

Chloroneb ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: COC1=CC(=C(C=C1Cl)OC)Cl
• Description: Chloroneb was developed by Du Pont de Nemours Co. in 1967. It differs from the compounds described above in that it does not contain nitro-groups. In common with other chlorobenzene fungicides, chloroneb has a low mammalian toxicity and a significant vapor pressure so that it was used as a soil fungicide in the culture of beans, cucumber, and cotton (20). In contrast with the nitrobenzene compounds, Phytophthora spp. are rather sensitive to chloroneb. Pythium spp. vary in sensitivity to chloroneb. Because of its low water solubility, chloroneb is only very weakly systemic (21,22).

Technology Process of Chloroneb

There total 9 articles about Chloroneb 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: 90.0%

1,4-dimethoxybezene (150-78-7) → 1,4-dichloro-2,5-dimethoxybenzene (2675-77-6)

Guidance literature:

With benzyltrimethylazanium tetrachloro-λ³-iodanuide; In acetic acid; for 1h; Ambient temperature;

DOI:10.1246/cl.1989.415

Reference yield: 3.0%

1,4-dimethoxybezene (150-78-7) → 1,4-dichloro-2,5-dimethoxybenzene (2675-77-6) + 2-chloro-1,4-dimethoxybenzene (2100-42-7)

Guidance literature:

With N-chlorotriethylammonium chloride; In trifluoroacetic acid; Ambient temperature;

Reference yield:

2,5-Dichloro-1,4-benzoquinone (615-93-0) → 1,4-dichloro-2,5-dimethoxybenzene (2675-77-6)

Guidance literature:

With potassium hydroxide; aluminium amalgam; anschliessendes Kochen mit Dimethylsulfat;

upstream raw materials:

2,5-Dichloro-1,4-benzoquinone

2,5-dichloro-1,4-hydroquinone

dimethyl sulfate

1,4-dimethoxybezene

Downstream raw materials:

2,2’-(2,5-dimethoxy-1,4-phenylene)dithiophene

2-bromo-3,6-dichloro-4-methoxy-phenol

2,5-dichlorohydroquinone diacetate

2,5-dichloro-3,6-diphenyl-[1,4]benzoquinone

Refernces

• 1、 Wang, Tao,Rabe, Patrick,Citron, Christian A.,Dickschat, Jeroen S.. "Halogenated volatiles from the fungus Geniculosporium and the actinomycete Streptomyces chartreusis". supporting information. p. 2767 - 2777. Retrieved 2014/01/06.
• 2、 Barhate, Nivrutti B.,Gajare, Anil S.,Wakharkar, Radhika D.,Bedekar, Ashutosh V.. "Simple and practical halogenation of arenes, alkenes and alkynes with hydrohalic acid/H2O2 or TBHP)". . p. 11127 - 11142. Retrieved 2007/10/03.