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61397-56-6

61397-56-6 Structure

61397-56-6 Structure
IdentificationMore
[Name]

cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
[CAS]

61397-56-6
[Synonyms]

1,3-DIOXOLANE-4-METHANOL, 2-(BROMOMETHYL)-2-(2,4-DICHLOROPHENYL)-BENZOATE,(2R,4R)-REL-
[(2s,4s)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CIS-2-[2,4-DICHLOROPHENYL]-2-BROMOMETHYL-4-(BENZOYLOXY)METHYL-1,3-DIOXALANE
CIS-[2-BROMOMETHYL-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL]METHYL BENZOATE
cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
CIS-BBD
CIS-BROMO BENZOATE
CIS-BROMO-ESTER
Cis-2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-methanolbenzoate
Cis-[(2-Bromomethyl)-2(2,4-Dichlorophenyl)-1,3-Dioxolan-4-Yl] Methyl Benxoate
Cis-bromo-ester(Cis-BBD)
CIS-BROMOBENZOATE:CIS-[2-BROMOMETHYL-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL]METHYL BENZOATE
CIS-BROMO-ESTER [CIS-2-(2,4-DICHLOROPHENYL)-2-BROMOMETHYL-4-(BENZOYLOXY)-METHYL-1,3-DIOXALANE]
CisBromoBenzoateItraconazole
CIS-[2-BROMOMETHYL-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL]METHYL BENZOATE /CIS-BROMOBENZOATE
(Z)-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-ylmethyl benzoate
((3S,5R)-5-(BROMOMETHYL)-5-(2,4-DICHLOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL BENZOATE
cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanolbenzoate
[EINECS(EC#)]

262-765-9
[Molecular Formula]

C18H15BrCl2O4
[MDL Number]

MFCD01073078
[Molecular Weight]

446.12
[MOL File]

61397-56-6.mol
Chemical PropertiesBack Directory
[Melting point ]

116-117 °C(Solv: ethanol (64-17-5))
[Boiling point ]

517.0±50.0 °C(Predicted)
[density ]

1.512±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

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

Solid
[color ]

White
[Water Solubility ]

12μg/L at 20℃
[InChI]

InChI=1S/C18H15BrCl2O4/c1-23-17(22)13-5-3-2-4-12(13)16-9-24-18(10-19,25-16)14-7-6-11(20)8-15(14)21/h2-8,16H,9-10H2,1H3
[InChIKey]

ALDNTQXBYHYCPK-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=CC=C1C1COC(CBr)(C2=CC=C(Cl)C=C2Cl)O1
[LogP]

5.8
[CAS DataBase Reference]

61397-56-6(CAS DataBase Reference)
Safety DataBack Directory
[REACH Registrations]

Inactive
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

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 Tercon azole.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate(61397-56-6)1HNMR
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