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HomeProduct name list4-Nitrotoluene-2-sulfonic Acid

4-Nitrotoluene-2-sulfonic Acid

  • CAS NO.:121-03-9
  • Empirical Formula: C7H7NO5S
  • Molecular Weight: 217.2
  • MDL number: MFCD00024914
  • EINECS: 204-445-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-06 16:20:44
4-Nitrotoluene-2-sulfonic Acid Structural

What is 4-Nitrotoluene-2-sulfonic Acid?

The Uses of 4-Nitrotoluene-2-sulfonic Acid

5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener.

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

Non flammable

4-Nitrotoluene-2-sulfonic acid 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.

Properties of 4-Nitrotoluene-2-sulfonic Acid

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)
CAS DataBase Reference 121-03-9(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonic acid, 2-methyl-5-nitro- (121-03-9)

Safety information for 4-Nitrotoluene-2-sulfonic Acid

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H290:Corrosive to Metals
H314:Skin corrosion/irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P234:Keep only in original container.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P390:Absorb spillage to prevent material damage.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.
P406:Store in corrosive resistant/… container with a resistant inner liner.

Computed Descriptors for 4-Nitrotoluene-2-sulfonic Acid

InChIKey ZDTXQHVBLWYPHS-UHFFFAOYSA-N
SMILES C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C

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