Hexaconazole structure, CAS 79983-71-4

Hexaconazole

CAS Number79983-71-4

Synonyms2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol; 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; Contaf 5EC; Anvil L; α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol; Chlortriafol; MFCD00144441; Hexaconazole; (RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; Anvil; Anvil Liquid; 2-(2,4-Dichlorphenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; rac-(2R)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol; Sitara; Hexaconazol; Contaf; EINECS 413-050-7; (±)-a-Butyl-a-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol

Molecular FormulaC14H17Cl2N3O

Molecular Weight314.21

Purity98.00%

Density1.3±0.1 g/cm3

Boiling Point490.3±55.0 °C at 760 mmHg

Melting Point111ºC

Flash Point

Appearance

EINECS

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Cat. No.: 2A-9048420 Purity: 98.00%
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Quality Control of [ 79983-71-4 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number79983-71-4
Catalog No.2A-9048420
Chinese Name己唑醇
Synonyms2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol; 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; Contaf 5EC; Anvil L; α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol; Chlortriafol; MFCD00144441; Hexaconazole; (RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; Anvil; Anvil Liquid; 2-(2,4-Dichlorphenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; rac-(2R)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol; 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol; Sitara; Hexaconazol; Contaf; EINECS 413-050-7; (±)-a-Butyl-a-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.21
Purity98.00
Density1.3±0.1 g/cm3
Boiling Point490.3±55.0 °C at 760 mmHg
Melting Point111ºC
Storage ConditionStore in an airtight container in a cool, dry plac
ApplicationHexaconazole is a synthetic fungicide that acts on many fungi, especially ascomycetes and basidiomycetes, and can promote the activities of superoxide dismutase and peroxidase.
HTC2933990014
SMILESCCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/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
InChI KeySTMIIPIFODONDC-UHFFFAOYSA-N
Hazard Symbolstransportation
BioactivityHexaconazole is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes. In vitro: Among the enzymatic antioxidants, superoxide dismutase and peroxidase are significantly up-regulated by hexaconazole. [1] Hexaconazole and its enantiomers cause the down-regulation of tryptophan levels and the up-regulation of kynurenine (KYN) levels, suggesting a role for hexaconazole in the activation of the KYN pathway and providing information for the mechanism of its toxicity.[2] Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Others References [1]. Dubey P et al. Comparative analyses of genotoxicity, oxidative stress and antioxidative defence system under exposure of methyl parathion and hexaconazole in barley (Hordeum vulgare L.) Environ Sci Pollut Res Int. 2015 Dec;22(24):19848-59. [2]. Wang Y et al. Monitoring tryptophan metabolism after exposure to hexaconazole and the enantioselective metabolism ofhexaconazole in rat hepatocytes in vitro. J Hazard Mater. 2015 Sep 15;295:9-16. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 490.3±55.0 °C at 760 mmHg Melting Point 111ºC Molecular Formula C14H17Cl2N3O Molecular Weight 314.210 Flash Point 250.3±31.5 °C Exact Mass 313.074860 PSA 50.94000 LogP 3.66 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.598 InChIKey STMIIPIFODONDC-UHFFFAOYSA-N SMILES CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl Storage condition 0-6°C
Use ofHexaconazole is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes. In vitro: Among the enzymatic antioxidants, superoxide dismutase and peroxidase are significantly up-regulated by hexaconazole. [1] Hexaconazole and its enantiomers cause the down-regulation of tryptophan levels and the up-regulation of kynurenine (KYN) levels, suggesting a role for hexaconazole in the activation of the KYN pathway and providing information for the mechanism of its toxicity.[2] Properties Articles26 Name hexaconazole Synonym More Synonyms Hexaconazole Biological Activity Description Hexaconazole is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes. In vitro: Among the enzymatic antioxidants, superoxide dismutase and peroxidase are significantly up-regulated by hexaconazole. [1] Hexaconazole and its enantiomers cause the down-regulation of tryptophan levels and the up-regulation of kynurenine (KYN) levels, suggesting a role for hexaconazole in the activation of the KYN pathway and providing information for the mechanism of its toxicity.[2] Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Others References [1]. Dubey P et al. Comparative analyses of genotoxicity, oxidative stress and antioxidative defence system under exposure of methyl parathion and hexaconazole in barley (Hordeum vulgare L.) Environ Sci Pollut Res Int. 2015 Dec;22(24):19848-59. [2]. Wang Y et al. Monitoring tryptophan metabolism after exposure to hexaconazole and the enantioselective metabolism ofhexaconazole in rat hepatocytes in vitro. J Hazard Mater. 2015 Sep 15;295:9-16. Chemical & Physical Properties Exact Mass 313.074860 PSA 50.94000 Index of Refraction 1.598 InChIKey STMIIPIFODONDC-UHFFFAOYSA-N
Tax Rebate9.0%
SupervisionS. Import and export pesticide registration certificate
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. ((RS)-2-(2,4- Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. ((RS)-2-(2,4- Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. ((RS)-2-(2,4-Dichlorophenyl)-1-(1H- 1,2,4-triazol-1-yl)hexan-2-ol) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3),
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