1539-06-6

Name 4-Acetamido-3-nitrobenzoic acid
CAS 1539-06-6
EINECS(EC#) 216-265-2
Molecular Formula C9H8N2O5
MDL Number MFCD00014703
Molecular Weight 224.17
MOL File 1539-06-6.mol
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Chemical Properties

Appearance beige to yellow crystalline powder
Melting point  220-224 °C (lit.)
Boiling point  365.56°C (rough estimate)
density  1.4656 (rough estimate)
refractive index  1.5570 (estimate)
storage temp.  2-8°C
form  solid
pka 3.62±0.10(Predicted)
BRN  2217819
InChI 1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKey BRQIMWBIZLRLSV-UHFFFAOYSA-N
SMILES CC(=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O
CAS DataBase Reference 1539-06-6(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 4-(acetylamino)-3-nitro- (1539-06-6)

Safety Data

Hazard Codes  Xi
Risk Statements 
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
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
TSCA  Yes
HS Code  29242990
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

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