1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-
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1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-
structure -
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CAS No:
67914-86-7
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Formula:
C14H15Cl2N3O5S
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Chemical Name:
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-
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Synonyms:
1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,4-methanesulfonate,(2R,4R)-rel-;1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,methanesulfonate (ester),cis-;1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,methanesulfonate (ester),(2R,4R)-rel-;68377-24-2;79538-83-3
- Categories:
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CAS No:
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel- Basic Attributes
408.26
408.26
267-749-5
2933990090
Characteristics
100.92000
2.91030
white-to-off-white powder
1.6±0.1 g/cm3
98 °C
615.5°C at 760 mmHg
326.0±34.3 °C
1.648
Safety Information
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel- Use and Manufacturing
An intermediate in the synthesis of Itraconazole
Computed Properties
Molecular Weight:408.3
XLogP3:1.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:407.0109471
Monoisotopic Mass:407.0109471
Topological Polar Surface Area:101
Heavy Atom Count:25
Complexity:563
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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