| Identification | More | [Name]
2-Methyl-5-nitrobenzenesulfonic acid | [CAS]
121-03-9 | [Synonyms]
2-METHYL-5-NITROBENZENESULFONIC ACID
4-NITRO-2-TOLUENESULFONIC ACID
4-NITROTOLUENE-2-SULFONIC ACID
LABOTEST-BB LT00052933
PARANITROTOLUENE SULFONIC ACID
P-NITROTOLUENE SULFONIC ACID
PNTOS
2-Methyl-5-nitrobenzenesalfonicacid
2-methyl-5-nitro-benzenesulfonicaci
2-toluenesulfonicacid,5-nitro
4-Nitro-o-toluenesulfonicacid
4-nitrotoluene-2-sulphonicacid
5-nitro-2-methylbenzenesulfonicacid
5-nitro-o-toluenesulfonicaci
5-nitro-o-toluenesulfonicacid
Benzenesulfonicacid,2-methyl-5-nitro-
kyselina4-nitrotoluen-2-sulfonova
kyselina4-nitrotoluen-2-sulfonova(czech)
p-nitrotoluene-o-sulfonicacid
PARANITRO TOLUVIN ORTHO SULPHONIC ACID (P.N.T.O.S.A.) | [EINECS(EC#)]
204-445-3 | [Molecular Formula]
C7H7NO5S | [MDL Number]
MFCD00024914 | [Molecular Weight]
217.2 | [MOL File]
121-03-9.mol |
| Chemical Properties | Back Directory | [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 | Back Directory | [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. |
| Hazard Information | Back Directory | [Chemical Properties]
Plate-like crystals (recrystallized from water). Soluble in ethanol, ether, and chloroform. | [Uses]
5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener. | [Application]
4-Nitrotoluene-2-sulfonic acid is an essential intermediate for producing fluorescent whitening agents, thousands of tons of which are manufactured annually. It is used principally as starting material for the production of 4,4'-dinitrostilbene-2,2'-disulfonic acid, which in turn is used for the manufacture of a host of fluorescent whitening agents based on cyanuric chloride of the 4,4'-bis([1,3,5-triazin-2-yl]amino)-stilbene-2,2'-disulfonic acid type. Further substantial amounts of 4-nitrotoluene-2-sulfonic acid are required to synthesize fluorescent whitening agents with other basic structures and of various dyes.
| [Definition]
ChEBI: The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4. | [Production Methods]
4-Nitrotoluene is sulfonated with 25 % oleum at 60 ℃ and worked up to give a solution of the sodium salt of 2-Methyl-5-nitrobenzenesulfonic acid. | [Flammability and Explosibility]
Nonflammable |
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