ChemicalBook--->CAS DataBase List--->120983-64-4

120983-64-4

120983-64-4 Structure

120983-64-4 Structure
IdentificationBack Directory
[Name]

prothioconazole-desthio
[CAS]

120983-64-4
[Synonyms]

ProthiocozoleImpurity5
Prothioconazole Impurity 5
Prothioconazole-desthio Solution, 1000ppm
Prothioconazole-desthio, 10 μg /μL in acetonitrile
Prothioconazole-desthio Solution in Acetonitrile, 100μg/mL
2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1,2,4-TRIAZOL-1-YL)-PROPAN-2-OL
1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]-
2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
1H-1,2,4-Triazole-1-ethanol, α-(1-chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-
[Molecular Formula]

C14H15Cl2N3O
[MOL File]

120983-64-4.mol
[Molecular Weight]

312.19
Chemical PropertiesBack Directory
[Melting point ]

108 °C
[Boiling point ]

508.2±60.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

neat
[pka]

13.25±0.29(Predicted)
[Appearance]

White to off-white Solid
[BRN ]

13200866
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
[InChIKey]

HHUQPWODPBDTLI-UHFFFAOYSA-N
[SMILES]

N1(CC(C2(Cl)CC2)(CC2=CC=CC=C2Cl)O)C=NC=N1
[EPA Substance Registry System]

1H-1,2,4-Triazole-1-ethanol, .alpha.-(1-chlorocyclopropyl)-.alpha.-[(2-chlorophenyl)methyl]- (120983-64-4)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P391-P501
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Hazard InformationBack Directory
[Uses]

3-Des-(triazolothiono) 3-(1,2,4-Thiazol-1-yl) Prothioconazole is derived from Prothioconazole (P838830), which is an antifungal metabolite used in agricultural fungicides and herbicides.
[Definition]

ChEBI: Prothioconazole-desthio is an organochlorine compound.
Spectrum DetailBack Directory
[Spectrum Detail]

prothioconazole-desthio(120983-64-4)1HNMR
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