α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol
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![α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0ad9a16d999d4314b1555f11028c9256.png "α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol")
α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol
structure -
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CAS No:
120983-64-4
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Formula:
C14H15Cl2N3O
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Chemical Name:
α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol
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Synonyms:
1H-1,2,4-Triazole-1-ethanol,α-(1-chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-;α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol;Prothioconazole-desthio;2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,3-dihydro-1,2,4-triazol-2-yl)propan-2-ol;952418-21-2
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CAS No:
α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol Basic Attributes
312.194
312.19
DTXSID3044338
Characteristics
50.9
2.67670
1.42±0.1 g/cm3(Predicted)
108 °C
508.2±60.0 °C(Predicted)
261.2ºC
1.656
Safety Information
NONH for all modes of transport
3
P273, P391, P501
H410
|Warning|H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 157 companies from 1 notifications to the ECHA C&L Inventory.
Drug Information
alpha-(1-Chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-1H-1,2,4-triazole-1-ethanol
α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Alpha-(1-chlorocyclopropyl)-alpha-o(2-chlorophenyl)methyl-1H-1,2,4-triazole-1-ethanol is a known environmental transformation product of prothioconazole.|M04 prothioconazole-desthio is a known environmental transformation product of Prothioconazole.
Computed Properties
Molecular Weight:312.2
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:311.0592175
Monoisotopic Mass:311.0592175
Topological Polar Surface Area:50.9
Heavy Atom Count:20
Complexity:353
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol
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