134071-44-6

Name cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
CAS 134071-44-6
EINECS(EC#) 603-791-6
Molecular Formula C21H19Cl2N2O5S-
MDL Number MFCD07367827
Molecular Weight 482.36
MOL File 134071-44-6.mol

Chemical Properties

Melting point  120-122°C
Boiling point  665.7±55.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 6.88±0.12(Predicted)
color  White to Off-White
InChI InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21-/s3
InChIKey WAXNIYHZFWRPGS-NTMXNBFVNA-N
SMILES [C@@]1(OC[C@@H](COS(=O)(=O)C2C=CC(C)=CC=2)O1)(CN1C=NC=C1)C1=CC=C(Cl)C=C1Cl |&1:0,3,r|
CAS DataBase Reference 134071-44-6(CAS DataBase Reference)

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REACH Registrations Inactive

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