17894-26-7

Name 2,5-DIMETHOXY-3-NITROBENZOIC ACID
CAS 17894-26-7
Molecular Formula C9H9NO6
MDL Number MFCD00017022
Molecular Weight 227.17
MOL File 17894-26-7.mol
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Chemical Properties

Appearance yellow crystalline powder
Melting point  183-187 °C (lit.)
Boiling point  368.87°C (rough estimate)
density  1.4777 (rough estimate)
refractive index  1.5800 (estimate)
solubility  soluble in Methanol
form  powder to crystal
color  Light yellow to Yellow to Orange
InChI 1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey QCJROOYLFVYZEP-UHFFFAOYSA-N
SMILES COc1cc(C(O)=O)c(OC)c(c1)[N+]([O-])=O
CAS DataBase Reference 17894-26-7(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  29189900
Storage Class 13 - Non Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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