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121-03-9

Name 2-Methyl-5-nitrobenzenesulfonic acid
CAS 121-03-9
EINECS(EC#) 204-445-3
Molecular Formula C7H7NO5S
MDL Number MFCD00024914
Molecular Weight 217.2
MOL File 121-03-9.mol
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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 121-03-9(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R34:Causes burns.
R41:Risk of serious damage to eyes.
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 .
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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