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5437-38-7

Name 3-Methyl-2-nitrobenzoic acid
CAS 5437-38-7
EINECS(EC#) 226-610-9
Molecular Formula C8H7NO4
MDL Number MFCD00007180
Molecular Weight 181.15
MOL File 5437-38-7.mol

Chemical Properties

Appearance white to slightly yellow crystalline powder
Melting point  220-223 °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 to crystal
pka 2.26±0.10(Predicted)
color  White to Almost white
Water Solubility  <0.1 g/100 mL at 22 ºC
BRN  1960698
InChI InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O
CAS DataBase Reference 5437-38-7(CAS DataBase Reference)
EPA Substance Registry System 5437-38-7(EPA Substance)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
WGK Germany  3
TSCA  Yes
HS Code  29163990

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier