67914-86-7

Name cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate
CAS 67914-86-7
EINECS(EC#) 267-749-5
Molecular Formula C14H15Cl2N3O5S
MDL Number MFCD06410887
Molecular Weight 408.26
MOL File 67914-86-7.mol
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Chemical Properties

Appearance White-to-Off-White Powder
Melting point  98 °C
Boiling point  615.5±65.0 °C(Predicted)
density  1.59±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
pka 2.94±0.12(Predicted)
color  White to Off-White
Usage An intermediate in the synthesis of Itraconazole
InChI InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/s3
InChIKey QIMASXGTWQEFGS-LNBRXUOKNA-N
SMILES C(N1N=CN=C1)[C@]1(C2C=CC(Cl)=CC=2Cl)OC[C@H](COS(=O)(=O)C)O1 |&1:6,17,r|
CAS DataBase Reference 67914-86-7(CAS DataBase Reference)

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