6929-40-4

Name B-PABA
CAS 6929-40-4
Molecular Formula C17H21N3O4S
MDL Number MFCD00077915
Molecular Weight 363.43
MOL File 6929-40-4.mol
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Chemical Properties

Melting point  295-297 °C
Boiling point  750.5±55.0 °C(Predicted)
density  1.338±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  powder
pka 4.32±0.10(Predicted)
color  white to light yellow
Optical Rotation [α]20/D +55±3°, c = 0.5% in 0.1 M NaOH
BRN  50100
InChIKey PVMDAMXGKHIMSQ-YDHLFZDLSA-N
SMILES C(O)(=O)C1=CC=C(NC(=O)CCCC[C@H]2[C@@]3([H])NC(=O)N[C@@]3([H])CS2)C=C1

Safety Data

Safety Statements 
WGK Germany  3
F  10
Storage Class 11 - Combustible Solids

Hazard Information

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