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Posaconazole Diastereoisomer Related Compound 5
[CAS# 149809-42-7]

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Identification
NamePosaconazole Diastereoisomer Related Compound 5
Synonyms[(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
Molecular StructureCAS # 149809-42-7, Posaconazole Diastereoisomer Related Compound 5
Molecular FormulaC21H21F2N3O4S
Molecular Weight449.47
CAS Registry Number149809-42-7
SMILESCC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
Properties
Solubility1.768 mg/L (25 °C water)
Density1.4±0.1 g/cm3, Calc.*
Index of Refraction1.616, Calc.*
Melting point229.35 °C
Boiling Point535.86 °C, 608.1±65.0 °C (760 mmHg), Calc.*
Flash Point321.6±34.3 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302+H312+H332-H315-H319  Details
Safety StatementsP261-P271-P280-P302+P352-P305+P351+P338  Details
SDSAvailable
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