Chloramben

Base Information

• Chemical Name: Chloramben
• CAS No.: 133-90-4
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 29224999
• European Community (EC) Number: 205-123-5
• UN Number: 3077
• UNII: EWG424FFB5
• DSSTox Substance ID: DTXSID2020262
• Nikkaji Number: J5.590E
• Wikipedia: Chloramben
• Wikidata: Q5102912
• ChEMBL ID: CHEMBL446021
• Mol file: 133-90-4.mol

Synonyms:Amiben;Amiben, aluminum salt;Amiben, ammonium salt;Amiben, monopotassium salt;Amiben, sodium salt;chloramben

Chemical Property of Chloramben

Chemical Property:

• Appearance/Colour: Off-white to beige powder
• Vapor Pressure: 3.12E-06mmHg at 25°C
• Melting Point: 194-201 °C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 373.211 °C at 760 mmHg
• PKA: 2.75±0.25(Predicted)
• Flash Point: 179.512 °C
• PSA: 63.32000
• Density: 1.608 g/cm³
• LogP: 2.85500
• Storage Temp.: 0-6°C
• Solubility.: Acetonitrile (Slightly), DMSO (Sparingly), Metahnol (Slightly)
• Water Solubility.: 700 mg/L (25 ºC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 188
• Transport DOT Label: Class 9

Purity/Quality:

3-Amino-2,5-dichlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xn
• Hazard Codes: T,Xn
• Statements: 45-36/37/38-40
• Safety Statements: 53-22-26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
• Uses: Preemergence or preplant herbicide used in many vegetable and field crops to control annual broad-leaved weeds and grasses. Also for postemergent control of common ragweed, redroot pigweed, smartweed and velvet-leaf. Herbicide or plant growth regulator. Chloramben may be used as an analytical reference standard for the determination of the analyte in water samples using liquid chromatography with electrochemical detection (LC-EC).

Technology Process of Chloramben

There total 6 articles about Chloramben 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: 95.0%

2,5-dichloro-3-aminoterephthalic acid (77350-07-3) → chloramben (133-90-4)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

Reference yield:

→ chloramben (133-90-4)

Guidance literature:

3-Nitro-2,5-dichlorbenzoic acid, Fe-Pulver, HCl, Ethanol;

Reference yield:

2,5-dichloro-3-nitroterephthalic acid dimethyl ester (78079-31-9) → chloramben (133-90-4)

Guidance literature:

Multi-step reaction with 3 steps

1: conc. HCl, iron filings / ethanol / 2.5 h / Heating

2: 10percent aq. NaOH / 0.5 h / Heating

3: 95 percent / aq. HCl / 3 h / Heating

With hydrogenchloride; sodium hydroxide; iron; In ethanol;

upstream raw materials:

2,5-dichloro-3-aminoterephthalic acid

2,5-dichloro-3-nitroterephthalic acid dimethyl ester

3-Amino-2,5-dichloro-terephthalic acid dimethyl ester

2,4-dichloro-3-nitro-benzoic acid

Downstream raw materials:

ethyl 3-amino-2,5-dichlorobenzoate

Refernces

• 1、 -. "Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils". . . Retrieved 2008/06/13.
• 2、 Yazlovitskii, A. V.,Ral'chuk, I. A.,Shcherbina, F. F.,Grigor'ev, A. A.. "PREPARATION OF 2,5-DICHLORO-3-AMINOBENZOIC ACID". . p. 2061 - 2062. Retrieved 2007/10/02.