50446-44-1

Name 1,3,5-Tri(4-carboxyphenyl)benzene
CAS 50446-44-1
Molecular Formula C27H18O6
MDL Number MFCD10000888
Molecular Weight 438.44
MOL File 50446-44-1.mol

Chemical Properties

Melting point  322-327 °C
Boiling point  711.0±60.0 °C(Predicted)
density  1.357±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  Soluble in tetrahydrofuran.
form  solid
pka 3.46±0.10(Predicted)
color  white to yellow
InChI InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKey SATWKVZGMWCXOJ-UHFFFAOYSA-N
SMILES C1(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C3=CC=C(C(O)=O)C=C3)=C2)=CC=C(C(O)=O)C=C1

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Danger
Hazard statements  H228-H315-H319-H410
Precautionary statements  P210-P273-P302+P352-P305+P351+P338
Hazard Codes  F,Xn,N,Xi
Risk Statements 
Safety Statements 
RIDADR  UN 3175 4.1/PG 2
WGK Germany  3
HazardClass  9
HS Code  29173990

Hazard Information

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