54001-16-0

Name 2-(4-METHOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
CAS 54001-16-0
Molecular Formula C12H11NO3S
MDL Number MFCD06857928
Molecular Weight 249.29
MOL File 54001-16-0.mol
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Chemical Properties

Melting point  236-241℃
Boiling point  454.219±55.00 °C(Press: 760.00 Torr)(predicted)
density  1.310±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  Storage temp. 2-8°C
form  solid
pka 1.323±0.37(predicted)
Appearance White to off-white Solid
InChI 1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKey HWHHZTHVYFDJNK-UHFFFAOYSA-N
SMILES [s]1c(nc(c1C(=O)O)C)c2ccc(cc2)OC
CAS DataBase Reference 54001-16-0

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Spectrum Detail

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