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)
pka	-1.14±0.33(Predicted)
form	Solid
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)

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.