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149809-43-8

Name (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester
CAS 149809-43-8
EINECS(EC#) 1308068-626-2
Molecular Formula C21H21F2N3O4S
MDL Number MFCD13195567
Molecular Weight 449.47
MOL File 149809-43-8.mol
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Chemical Properties

Melting point  100-102°C
Boiling point  608.1±65.0 °C(Predicted)
density  1.40
storage temp.  -20°C Freezer, Under Inert Atmosphere
solubility  slightly sol. in Chloroform
form  powder to crystal
pka 2.75±0.10(Predicted)
color  White to Orange to Green
InChI InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1
InChIKey DFWVLCJRFGIRAK-HRAATJIYSA-N
SMILES C1[C@](CN2N=CN=C2)(C2C(F)=CC(F)=CC=2)OC[C@H]1COS(=O)(=O)C1C=CC(C)=CC=1
CAS DataBase Reference 149809-43-8(CAS DataBase Reference)

Safety Data

HS Code  2934.99.4400

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