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133855-98-8

133855-98-8 Structure

133855-98-8 Structure
IdentificationBack Directory
[Name]

1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
[CAS]

133855-98-8
[Synonyms]

EPOXICONAZOL
Epoxiconazole Impurity 1
Epoxiconazol Solution, 1000ppm
Epoxiconazole@100 μg/mL in Methanol
Epoxiconazole@1000 μg/mL in Methanol
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
(2RS,3RS)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-
[EINECS(EC#)]

603-768-0
[Molecular Formula]

C17H13ClFN3O
[MDL Number]

MFCD01311796
[MOL File]

133855-98-8.mol
[Molecular Weight]

329.76
Chemical PropertiesBack Directory
[Boiling point ]

463.1±55.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[vapor pressure ]

0Pa at 20℃
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

2.75±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

8.42mg/L at 20℃
[BRN ]

9509539
[InChI]

1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1
[InChIKey]

ZMYFCFLJBGAQRS-DLBZAZTESA-N
[SMILES]

Fc1ccc(cc1)[C@@]3(Cn2cncn2)O[C@@H]3c4ccccc4Cl
[LogP]

3.33 at 25℃
[EPA Substance Registry System]

Epoxiconazole (133855-98-8)
Safety DataBack Directory
[Hazard Codes ]

Xn,N,T
[Risk Statements ]

40-51/53-62-63-61
[Safety Statements ]

36/37-46-61-45-53
[RIDADR ]

UN 3077
[WGK Germany ]

3
[RTECS ]

XZ4500100
[REACH Registrations]

Active
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

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

1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole is a fungicide used to inhibit the metabolism and growth of mycelia.
[Definition]

ChEBI: (2S,3R)-epoxiconazole is the (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. It is an enantiomer of a (2R,3S)-epoxiconazole.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole(133855-98-8)1HNMR
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