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4435-67-0

Name 1 3 5-BENZENETRIACETIC ACID
CAS 4435-67-0
Molecular Formula C12H12O6
MDL Number MFCD03095533
Molecular Weight 252.22
MOL File 4435-67-0.mol
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Chemical Properties

Melting point  210-215 °C
Boiling point  534.2±45.0 °C(Predicted)
density  1.468±0.06 g/cm3(Predicted)
form  powder
pka 3.69±0.10(Predicted)
BRN  9300288
InChI InChI=1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey AJEIBHNKBLRDNT-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC(CC(O)=O)=CC(CC(O)=O)=C1
CAS DataBase Reference 4435-67-0

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3

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