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70585-35-2

70585-35-2 Structure

70585-35-2 Structure
IdentificationBack Directory
[Name]

(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol PESTANAL
[CAS]

70585-35-2
[Synonyms]

(αR,βS)-rel-α-tert-Butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol PESTANAL
1H-1,2,4-Triazole-1-ethanol, β-(4-chlorophenoxy)-α-(1,1-dimethylethyl)-, (αR,βS)-rel-
[Molecular Formula]

C14H18ClN3O2
[MDL Number]

MFCD31656807
[MOL File]

70585-35-2.mol
[Molecular Weight]

295.76
Chemical PropertiesBack Directory
[Boiling point ]

465.4±55.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[Fp ]

100 °C
[pka]

13.29±0.20(Predicted)
[Major Application]

agriculture
environmental
[InChI]

1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1
[InChIKey]

BAZVSMNPJJMILC-STQMWFEESA-N
[SMILES]

CC(C)(C)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n2cncn2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-52/53
[Safety Statements ]

61
[WGK Germany ]

2
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Triadimenol A is a fungicide and is formed through the enantioselective degradation, abiotic racemization, and chiral transformation of triadimefon in soils.
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