858848-07-4

Name 2-Methoxy-5-methyl-3-nitro-benzoic acid
CAS 858848-07-4
Molecular Formula C9H9NO5
MDL Number MFCD17167535
Molecular Weight 211.17
MOL File 858848-07-4.mol
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Chemical Properties

Melting point  180-181 °C
Boiling point  389.9±42.0 °C(Predicted)
density  1.370±0.06 g/cm3(Predicted)
form  solid
pka 3.32±0.20(Predicted)
InChI 1S/C9H9NO5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey KJPNRXSFTKTXSH-UHFFFAOYSA-N
SMILES CC1=CC([N+]([O-])=O)=C(OC)C(C(O)=O)=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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