3113-72-2

Name 5-Methyl-2-nitrobenzoic acid
CAS 3113-72-2
EINECS(EC#) 221-481-5
Molecular Formula C8H7NO4
MDL Number MFCD00007368
Molecular Weight 181.15
MOL File 3113-72-2.mol

Chemical Properties

Appearance off-white crystalline powder
Melting point  134-136 °C (lit.)
Boiling point  314.24°C (rough estimate)
density  1.4283 (rough estimate)
refractive index  1.5468 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Powder or Crystalline Powder
pka 2.21±0.25(Predicted)
color  White to yellow
Stability: Stable. Incompatible with strong oxidizing agents.
Water Solubility  4.7g/L(20 ºC)
BRN  1959031
InChI InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey QRRSIFNWHCKMSW-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C)=CC=C1[N+]([O-])=O
CAS DataBase Reference 3113-72-2(CAS DataBase Reference)
EPA Substance Registry System 3113-72-2(EPA Substance)

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
TSCA  Yes
HS Code  29163990
Storage Class 11 - Combustible Solids

Hazard Information

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