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101831-37-2

Basic Information
CAS No.: 101831-37-2
Name: Diclazuril
Article Data: 6
Molecular Structure:
Molecular Structure of 101831-37-2 (Diclazuril)
Formula: C17H9Cl3N4O2
Molecular Weight: 407.643
Synonyms: P 64433;2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile;Benzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-;Benzeneacetonitrile,2,6-dichloro-R-(4-chlorophenyl)- 4-(4,5-dihydro-3,5-dioxo-1,2,4- triazin-2(3H)-yl)-;2-(4-chlorophenyl)-2-[2,6-dichloro-3-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile;2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile;Diclaznril;
EINECS: 1806241-263-5
Density: 1.56 g/cm3
Melting Point: 548oC
Solubility: Almost insoluble in water
Appearance: Yellowish or white powder
Risk Codes: R36/37/38
Safety: 24/25
PSA: 91.54000
LogP: 3.53648
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    J&H Chemical is one of China's leading providers of integrated fine chemical services including offering, research and development, Custom manufacturing business, as well as other

  •  Hangzhou J&H Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-87396432

    Address:No.200 Zhenhua Rd.Xihu Industrial Park, Hangzhou 310030, China

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  • Diclazuril

  • Casno:

    101831-37-2

    Diclazuril

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0

    Massive Chemical is certified with ISO9001 and ISO14001 manufacturer for this product. We will offer all documents as requirement for the materials which includes, Certificate of Analysis, Material Safety Data Sheet, and Method of Analysis and

    Shanghai Massive Chemical Technology Co., Ltd. is engaged in development, production and marketing Specialty Chemicals to satisfy the changing needs of the chemical industry. We sp

  •  Shanghai Massive Chemical Technology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 21 34943721

    Address:Room 435, 4th floor, Building 9, No. 2568 Gudai Road,Minhang District, Shanghai,

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  • Diclazuril

  • Casno:

    101831-37-2

    Diclazuril

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    DiclazurilAppearance:White or Almost White crystalline powder Storage:Store in refrigerator Package:according to customers' requirements Application:Steroids injection For Body building Transportation:By air(EMS or EUB or FedEx or TNT ect...) or by s

    Established in 2010, located in Hangzhou Qinglan science park, lingruichem is a technical company mainly focus on the Custom synthesis, manufacturing, sales of chemicals to various

  •  Hangzhou Lingrui Chemical Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:86 571-88092529

    Address:201-B 2# Building Qinglan science park, 321# JinPeng Str. Xihu District Hangzhou City, PR.CHINA

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  • Diclazuril

  • Casno:

    101831-37-2

    Diclazuril

    Min.Order: 100 Gram

    FOB Price:  USD $ 100.0-2000.0

    We are one of a few suppliers that can offer custom synthesis service of this product We are specialized in custom synthesis, chemical/pharmaceutical/ pesticides outsourcing and contract research. We are committed to prov

    SHANGHAI SYSTEAM BIOCHEM CO., LTD. is one of the professional suppliers in Chinese pharmaceutical market and is specialized in custom synthesis, chemical/pharmaceutical/ pesticides

  •  SHANGHAI SYSTEAM BIOCHEM CO., LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-021-58380978

    Address:Building 87,Lane 669, Dong Jing Road Shanghai,P.R.China

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  • Diclazuril

  • Casno:

    101831-37-2

    Diclazuril

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    moderate price & quick delivery Appearance:Off-White Solid Storage:Stored in cool, dry and ventilation place; Away from fire and heat Package:100g/bottle,1kg/bottle,25kg/drum or as per your request Application:Nucleotide analog with broad-spect

    Hangzhou Yunuo Chemical Co., Ltd. is located in Hangzhou City, China We are specialized in fine chemicals and basic chemical auxiliary materials, Organic compounds, rubber

  •  HANGZHOU YUNUO CHEMICAL CO.,LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0571-83715115

    Address:hangzhou

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  • Diclazuril

  • Casno:

    101831-37-2

    Diclazuril

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Established in May 2015, TaiChem Ltd. is initially invested by a British research and development company and started by PhDs back from aboard. The company is registered in China Medical City (CMC), Taizhou, Jiangsu Province, and the production site

    TaiChem was established in 2015 and registered in China medical city - Taizhou, Jiangsu Province. The company has about 1800 square meters of class A plant facility. TaiChem focuse

  •  TaiChem Taizhou Limited

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-0523-86810091

    Address:Changjiang Dadao 18

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Specification

The Diclazuril with CAS registry number of 101831-37-2 is also known as 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile. The IUPAC name is 2-(4-Chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile. It belongs to product categories of Veterinaries. In addition, the formula is C17H9Cl3N4O2 and the molecular weight is 407.64. This chemical is a yellowish or white powder and almost insoluble in water. It is stable at normal temperature and pressure, and it should be sealed in cool, dry room away from oxidants at the temperature of 0-6 °C. Furthermore, this chemical can be used as anticoccidial drugs.

Physical properties about Diclazuril are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 28.28; (5)ACD/BCF (pH 7.4): 1.45; (6)ACD/KOC (pH 5.5): 340.11; (7)ACD/KOC (pH 7.4): 17.49; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.701; (12)Molar Refractivity: 100.72 cm3; (13)Molar Volume: 260.1 cm3; (14)Surface Tension: 60.3 dyne/cm; (15)Density: 1.56 g/cm3.

Preparation of Diclazuril: it is prepared by reaction of 2,6-dichloro-α-(4-chlorophenyl)-4-nitrophenyl acetonitrile. Firstly, 2-[3,5-dichloro-4-[(4-chlorophenyl) cyanomethyl] phenyl]-2,3,4,5-tetrahydro-3,5-1,2-dicarbonyl, 4- triazine-6-acid is generated by hydride reduction, coupling reaction, cyclization and hydrolysis with catalyst 5% platinum-carbon and solvent methanol. Then product is obtained by decarboxylation reaction with solvent mercaptoacetic acid at the temperature of 170 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
2. InChI: InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
3. InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N