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79983-71-4

Basic Information
CAS No.: 79983-71-4
Name: Hexaconazole
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 79983-71-4 (Hexaconazole)
Formula: C14H17Cl2N3O
Molecular Weight: 314.214
Synonyms: TDP;Contaf;Contaf 5EC;(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol;1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-, (+-)-;Anvil;alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-;PC 1002;1H-1,2,4-Triazole-1-ethanol,R-butyl-R-(2,4- dichlorophenyl)-;Chlortriafol;PP 523;2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol;Anvil (fungicide);Hexaconazole [BSI:ISO];FD 4053;Hexaconazol;
EINECS: 413-050-7
Density: 1.3 g/cm3
Melting Point: 111 °C
Boiling Point: 490.3 °C at 760 mmHg
Flash Point: 250.3 °C
Solubility: 17 mg l-1(20 °C)
Hazard Symbols: HarmfulXn, DangerousN
Risk Codes: 22-43-51/53
Safety: 2-24-37-61
Transport Information: UN3077 9/PG 3
PSA: 50.94000
LogP: 3.66290
Synthetic route
693-03-8

n-butyl magnesium bromide

58905-16-1

1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

79983-71-4

hexaconazole

Conditions
ConditionsYield
Stage #1: 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone With magnesium bromide ethyl etherate In dichloromethane at 20℃; for 1.5h; Inert atmosphere;
Stage #2: n-butyl magnesium bromide In diethyl ether; dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;
12%
118227-30-8

1-(2,4-dichlorophenyl)-2-(4-amino-4H-1,2,4-triazoliumyl)ethanone chloride

79983-71-4

hexaconazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 20 °C
2.1: magnesium bromide ethyl etherate / dichloromethane / 1.5 h / 20 °C / Inert atmosphere
2.2: 12 h / 0 - 20 °C / Inert atmosphere
View Scheme
4252-78-2

2,2',4'-trichloroacetophenone

79983-71-4

hexaconazole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: isopropyl alcohol / 12 h / 80 °C
2.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 20 °C
3.1: magnesium bromide ethyl etherate / dichloromethane / 1.5 h / 20 °C / Inert atmosphere
3.2: 12 h / 0 - 20 °C / Inert atmosphere
View Scheme
6046-93-1

copper(II) acetate monohydrate

79983-71-4

hexaconazole

2C14H17Cl2N3O*Cu(2+)*2C2H3O2(1-)

Conditions
ConditionsYield
In ethanol at 20℃; for 1h;68%

zinc(II) nitrate hexahydrate

68-12-2, 33513-42-7

N,N-dimethyl-formamide

79983-71-4

hexaconazole

[ZnL34 (DMF)2](NO3)2

Conditions
ConditionsYield
In ethanol at 20℃; for 4h;61%
79983-71-4

hexaconazole

(+)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

(-)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

Conditions
ConditionsYield
In hexane; isopropyl alcohol at 20℃; Resolution of racemate; enantioselective reaction;
With chiralpak IC column In hexane; isopropyl alcohol at 20℃; Thermodynamic data; Solvent; Temperature; Resolution of racemate; enantioselective reaction;
105827-78-9

1-(6-chloronicotinyl)-2-nitroiminoimidazoline

79983-71-4

hexaconazole

C14H17Cl2N3O*C9H10ClN5O2

Conditions
ConditionsYield
at 100 - 110℃; Inert atmosphere;
105827-78-9

1-(6-chloronicotinyl)-2-nitroiminoimidazoline

79983-71-4

hexaconazole

2C14H17Cl2N3O*C9H10ClN5O2

Conditions
ConditionsYield
at 100 - 110℃; Inert atmosphere;
105827-78-9

1-(6-chloronicotinyl)-2-nitroiminoimidazoline

79983-71-4

hexaconazole

4C14H17Cl2N3O*C9H10ClN5O2

Conditions
ConditionsYield
at 100 - 110℃; Inert atmosphere;
105827-78-9

1-(6-chloronicotinyl)-2-nitroiminoimidazoline

79983-71-4

hexaconazole

6C14H17Cl2N3O*C9H10ClN5O2

Conditions
ConditionsYield
at 100 - 110℃; Inert atmosphere;
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    Product Name: Hexaconazole Synonyms: (rs)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol;(rs)-2-(2,4-dichlorophenyl)-1-(4h-1,2,4-triazol-4-yl)hexan-2-ol;4-dichlorophenyl)-1h-1,2,4-triazole-1-ethanol(+-)-alpha-butyl-alpha-(;alpha-

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  • Hexaconazol

  • Casno:

    79983-71-4

    Hexaconazol

    Min.Order: 0

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    Hunan chemfish Pharmaceutical co.,Ltd.located in Lugu High-tech industral park ,Hunan province . with its own R&D center and more than 10000㎡manufacture plant . Chemfish owns

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    Business Type:Manufacturers

    Tel:0731-85567275

    Address:No.10048, xiangjiang centry bulding ,kaifu district ,changsha city ,Hunan

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  • Hexaconazole

  • Casno:

    79983-71-4

    Hexaconazole

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    GOLDEN PHARMA CO.,LIMITED.is a professional pharmaceutical company,our team have more than 20years expereince in pharmaceutical production and sales. we are a professional technical enterprise specializing in the R & D, production,QA regulation

    GOLDEN PHARMA CO.,LIMITED.is a professional pharmaceutical company,our team have more than 20years expereince in pharmaceutical production. Currently our major business is: 1.Con

  •  Golden Pharma Co., Limited

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    Business Type:Trading Company

    Tel:18958062155

    Address:1

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  • Hexaconazole 79983-71-4 manufacturyer 99%

  • Casno:

    79983-71-4

    Hexaconazole 79983-71-4 manufacturyer 99%

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    We are the manufacturer of this product in China. Our price is the lowest in China. Our high purity is 97.5%min. CHANGZHOU HANGYU PHARMACEUTICAL TECHNOLOGY CO., LTD., founded in 1984, engages in pharmaceutical research, development, production,

    CHANGZHOU HANGYU PHARMACEUTICAL TECHNOLOGY CO., LTD., founded in 1984, engages in pharmaceutical research, development, production, process design and technical consultation of syn

  •  CHANGZHOU HANGYU PHARMACEUTICAL TECHNOLOGY CO., LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-519-88802789

    Address:No.300,Yanling Middle Road, Changzhou, Jiangsu, China

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  • Hexaconazole

  • Casno:

    79983-71-4

    Hexaconazole

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    ISO/factory/goodqualityAppearance:off white Storage:Dry,cool place Package:drum Application:active pharmaceutical ingredients Transportation:by air/sea/express Port:shenzhen/shanghai

    Wuhan Vanz Pharm Inc. is a manufacturer&trading company.

  •  Hubei Vanz Pharm Co.,Ltd

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    Business Type:Manufacturers

    Tel:86-27-84492310

    Address:FANHU INDUSTRY PARK

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  • hexaconazole

  • Casno:

    79983-71-4

    hexaconazole

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    FOB Price:  USD $ 0.0-0.0

    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:drum and bag Application:for pharma use Transportation:by sea or air Port:Beijing or Guangzhou

    Kono Chem Co.,Ltd is a leading producer of standardized herbal extracts, natural active ingredients and APIs for pharmaceutical, health food and cosmetic industries. Annually, mo

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     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:86-29-86107037-8015

    Address:No.11 Daqing Road,Lianhu District,Xi’an 710082,China

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  • Hexaconazol

  • Casno:

    79983-71-4

    Hexaconazol

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity,in stock Package:25kg/drum,or as per customers'demand Application:API,or Intermediates,fine chemicals Transportation:air,sea,courier

    GIHI CHEMICALS CO.,LIMITED, its former company is a small manufacturer who is specialized in the production of ester products which are used in the daily chemicals ,cosmetic produc

  •  GIHI CHEMICALS CO.,LIMITED

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:571-86217390

    Address:Huacai International Building,Sandun,Westlake District,Hangzhou 310030,Zhejiang,China

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Hexaconazole with the cas number 79983-71-4, is also called (1)(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol ; (2)Anvil ; (3)Anvil (fungicide) ; (4)Anvil L ; (5)Anvil Liquid ; (6)Chlortriafol ; (7)Contaf ; (8)Contaf 5EC ; (9)Hexaconazole ; (10)Hexaconazole [BSI:ISO] ; (11)Sitara ; (12)TDP ; (13)alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-; (14)ethanol (+-)- ; (15)1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-; (16)dichlorophenyl)- ; (17) 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-; (18)dichlorophenyl)-, (+-)- and so on. Hexaconazole belongs to the following product categories: fungicide and pesticide. It should be stored at 0-6°C for preserve.

Properties of Hexaconazole:(1)H bond acceptors: 4 ; (2)H bond donors: 1 ; (3)Freely Rotating Bonds: 7 ; (4)Polar Surface Area: 39.94 Å2 ; (5)Index of Refraction: 1.597 ; (6)Molar Refractivity: 82.43 cm3 ; (7)Molar Volume: 241.6 cm3 ; (8)Polarizability: 32.67 10-24cm3 ; (9)Surface Tension: 46.1 dyne/cm ; (10) Density: 1.3 g/cm3 ; (11)Flash Point: 250.3 °C ; (12)Enthalpy of Vaporization: 79.7 kJ/mol ; (13)Boiling Point: 490.3 °C at 760 mmHg ; (14)Vapour Pressure: 1.99E-10 mmHg at 25°C

When you are using this chemical,  please be cautious about it as the following:
Firstly, Hexaconazole is Harmful if swallowed, please Keep out of the reach of children from such harm. Secondly, it is quite toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Hence, avoid release to the environment, refering to special instructions / safety data sheets. Tirdly, because, it may cause sensitization by skin contact, avoid contact with skin.

You can still convert the following datas into molecular structure :
1. SMILES: Clc1ccc(c(Cl)c1)C(O)(CCCC)Cn2ncnc2
2. InChI: InChI=1/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

Hexaconazole toxic data can be showed in the following sheet.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 4gm/kg (4000mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.
rat LD50 oral 2189mg/kg (2189mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 470, 1991.