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138-60-3

Name Chelidamic acid
CAS 138-60-3
EINECS(EC#) 205-335-8
Molecular Formula C7H5NO5
MDL Number MFCD00066478
Molecular Weight 183.12
MOL File 138-60-3.mol

Chemical Properties

Melting point  265-270 °C
Boiling point  428.3±45.0 °C(Predicted)
density  1.726±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  1 M NH4OH: 50mg/mL, clear to slightly hazy
form  powder
pka 0.12±0.40(Predicted)
color  brown
biological source synthetic (organic)
Detection Methods HPLC,NMR
BRN  476229
InChI InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKey XTLJJHGQACAZMS-UHFFFAOYSA-N
SMILES C1(C(O)=O)NC(C(O)=O)=CC(=O)C=1
CAS DataBase Reference 138-60-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29333990

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