16533-71-4

Name 3,5-Dinitro-4-methylbenzoic acid
CAS 16533-71-4
EINECS(EC#) 240-603-8
Molecular Formula C8H6N2O6
MDL Number MFCD00007175
Molecular Weight 226.14
MOL File 16533-71-4.mol
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Chemical Properties

Appearance yellow crystalline powder
Melting point  155-158 °C(lit.)
Boiling point  396.3±42.0 °C(Predicted)
density  1.593±0.06 g/cm3(Predicted)
storage temp.  Flammables area
solubility  methanol: soluble250mg/10 mL, clear, faintly yellow to yellow
form  Crystalline Powder
pka 2.95±0.10(Predicted)
color  Yellow
BRN  2507949
InChI InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey LZWWZQXBKVZKIP-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1
CAS DataBase Reference 16533-71-4(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  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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