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o-Toluenesulfonicacid, 5-nitro- (6CI,7CI,8CI) 4-Nitro-2-toluenesulfonic acid 5-Nitro-2-methylbenzenesulfonic acid
4-Nitrotoluene-2-sulfonic Acid Chemical Properties |
Melting point | 135°C |
Boiling point | 500°C (rough estimate) |
density | 1.6040 (rough estimate) |
vapor pressure | 0Pa at 20℃ |
refractive index | 1.6100 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
solubility | Methanol (Slightly), Water (Slightly) |
form | Solid |
pka | -1.14±0.33(Predicted) |
color | Very Dark Brown |
Water Solubility | 667g/L at 23℃ |
InChI | InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13) |
InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
SMILES | C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C |
CAS DataBase Reference | 121-03-9(CAS DataBase Reference) |
EPA Substance Registry System | Benzenesulfonic acid, 2-methyl-5-nitro- (121-03-9) |
Safety Information |
Hazard Codes | Xn |
Risk Statements | 34-41-43-36-22 |
Safety Statements | 26-36/37/39-39-36/37 |
RIDADR | 3261 |
RTECS | DB7175000 |
HS Code | 2904.99.4700 |
HazardClass | 8 |
PackingGroup | III |
Hazardous Substances Data | 121-03-9(Hazardous Substances Data) |
Toxicity | rat,LD50,oral,3710mg/kg (3710mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986. |
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