1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4R)-rel-
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1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4R)-rel-
structure -
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CAS No:
61397-56-6
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Formula:
C18H15BrCl2O4
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Chemical Name:
1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4R)-rel-
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Synonyms:
1,3-Dioxolane-4-methanol,2-(bromomethyl)-2-(2,4-dichlorophenyl)-,4-benzoate,(2R,4R)-rel-;1,3-Dioxolane-4-methanol,2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate,cis-;1,3-Dioxolane-4-methanol,2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate,(2R,4R)-rel-;cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate;(2R,4R)-rel-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol benzoate;68751-58-6
- Categories:
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CAS No:
1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4R)-rel- Basic Attributes
446.12
446.12
262-765-9
Characteristics
44.76000
4.81350
1.512g/cm3
116-117 °C @ Solvent: Ethanol
517ºC at 760 mmHg
266.5ºC
1.59
Safety Information
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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-(bromomethyl)-2-(2,4-dichlorophenyl)-, 4-benzoate, (2R,4R)-rel- Use and Manufacturing
cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate is an intermediate in the preparation of antifungal agents such as Ketoconazole (K186000), Itraconazole (I937500) and Terconazole.
Computed Properties
Molecular Weight:446.1
XLogP3:4.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:443.95308
Monoisotopic Mass:443.95308
Topological Polar Surface Area:44.8
Heavy Atom Count:25
Complexity:460
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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