Captan

Base Information

• Chemical Name: Captan
• CAS No.: 133-06-2
• Deprecated CAS: 120528-25-8,37335-15-2
• Molecular Formula: C9H8Cl3NO2S
• Molecular Weight: 300.593
• Hs Code.: 29309090
• European Community (EC) Number: 205-087-0
• ICSC Number: 0120
• NSC Number: 36726
• UN Number: 3077,2588
• DSSTox Substance ID: DTXSID9020243
• Nikkaji Number: J2.947E
• Wikipedia: Captan
• Wikidata: Q2194382
• NCI Thesaurus Code: C77379
• RXCUI: 1368147
• ChEMBL ID: CHEMBL388676
• Mol file: 133-06-2.mol

Synonyms:Captan;N Trichloromethylthio 4 cyclohexane 1,2 dicarboximide;N-Trichloromethylthio-4-cyclohexane-1,2-dicarboximide;Vancide 89

Chemical Property of Captan

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.000474mmHg at 25°C
• Melting Point: 178 ºC
• Refractive Index: 1.636
• Boiling Point: 314.2 ºC at 760 mmHg
• PKA: -2.68±0.20(Predicted)
• Flash Point: 143.8 ºC
• PSA: 62.68000
• Density: 1.63 g/cm³
• LogP: 2.85140
• Storage Temp.: 0-6°C
• Water Solubility.: 0.00033 g/100 mL
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 298.934133
• Heavy Atom Count: 16
• Complexity: 340
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Captan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T;N,N,T,Xn,F
• Statements: 23-40-41-43-50-36-20/21/22-11
• Safety Statements: 26-29-36/37/39-45-61-36/37-16

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
• Recent EU Clinical Trials: Acute haemodynanic effects of Treatment with ACE inhibitores in patients with severe Aortic Stenosis
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. Repeated or prolonged contact may cause skin sensitization.
• Description: Captane is a pesticide belonging to the thiophtalimide group, mainly affecting agricultural workers. As a sensitizer and photosensitizer, it can induce contact urticaria. Its is used as a fungicide and a bacteriostatic agent in cosmetics and toiletries, particularily in shampoos. Cases of contact dermatitis were reoprted in painters, polishers and varnishers.
• Uses: Fungicide; bacteriostat in soap. Fungicide, often added to pesticide mixtures used to control diseases among fruits, vegetables. Fungicide used to control diseases on many fruit, ornamental and vegetable crops. Bacteriostat in soaps. Captan is used to control a wide range of fungal diseases on many crops.

Technology Process of Captan

There total 1 articles about Captan 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:

→ captan (133-06-2)

Guidance literature:

Tetrahydrophthalsaeureimid 1. in Alkali, 0grad 2. Perchlormethylmercaptan, 20-25grad;

Reference yield:

captan (133-06-2) → 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6)

Guidance literature:

With oxygen; at 500 ℃; Formation of xenobiotics; combustion;

DOI:10.1016/S0045-6535(99)00231-3

Reference yield:

captan (133-06-2) → 2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine (1746-01-6,56795-67-6) + 1,2,3,4,6,7,8,9-octachlorodibenzodioxin (3268-87-9) + 1,2,3,7,8,9-hexachlorodibenzofuran (72918-21-9)

Guidance literature:

With oxygen; at 500 - 900 ℃; Further Variations:; Temperatures; Product distribution; Formation of xenobiotics; combustion;

DOI:10.1016/S0045-6535(99)00231-3

Downstream raw materials:

2,3,7,8-Tetrachloro-dibenzo[1,4]dioxine

1,2,3,4,6,7,8,9-octachlorodibenzodioxin

1,2,3,7,8,9-hexachlorodibenzofuran

iron(II) tetraphenylporphyrin (1,2,3,6-tetrahydrothiophthalimido)chlorocarbene

Refernces

• 1、 -. "Fungicidal composition for seed dressing". . . Retrieved 2008/06/13.