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4-Nitrotoluene-2-sulfonic Acid

4-Nitrotoluene-2-sulfonic Acid Structure
CAS No.
121-03-9
Chemical Name:
4-Nitrotoluene-2-sulfonic Acid
Synonyms
PNTOS;PNOTSA;4-Nitrotoluol-2-acid;LABOTEST-BB LT00052933;4-Nitro-2-sulfotoluene;5-nitro-o-toluenesulfonicac;5-nitro-o-toluenesulfonicaci;Toluenesulfonic acid, 5-nitr;4-Nitrotoluenesulfonic Acid;P-NITROTOLUENE SULFONIC ACID
CBNumber:
CB5153277
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.2
MOL File:
121-03-9.mol
Modify Date:
2024/6/6 16:20:44

4-Nitrotoluene-2-sulfonic Acid 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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS05
Signal word  Danger
Hazard statements  H314-H412-H290
Precautionary statements  P501-P273-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
Toxicity rat,LD50,oral,3710mg/kg (3710mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.
NFPA 704
0
3 0

4-Nitrotoluene-2-sulfonic Acid price More Price(2)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) N0277 4-Nitrotoluene-2-sulfonic Acid 121-03-9 25G ₹2500 2022-05-26 Buy
TCI Chemicals (India) N0277 4-Nitrotoluene-2-sulfonic Acid 121-03-9 500G ₹28500 2022-05-26 Buy
Product number Packaging Price Buy
N0277 25G ₹2500 Buy
N0277 500G ₹28500 Buy

4-Nitrotoluene-2-sulfonic Acid Chemical Properties,Uses,Production

Uses

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.

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.

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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 LABOTEST-BB LT00052933 4-NITRO-2-TOLUENESULFONIC ACID 4-NITROTOLUENE-2-SULFONIC ACID 4-NITROTOLUENE-2-SULFONIC ACID 90+% Toluenesulfonic acid, 5-nitr 4-Nitrotoluene-2-sulfonic Acid Hydrate 4-Nitrotoluenesulfonic Acid 5-nitro-o-toluenesulfonicac 4-Nitrotoluene-2-sulfonic acid dihydrate PARANITRO TOLUVIN ORTHO SULPHONIC ACID (P.N.T.O.S.A.) PARA NITRO TOLUENE ORTHO SULFONIC ACID paraNitro Toluene-o-Sulfonic Acid 1-Methyl-4-nitro-2-sulfobenzene 4-Nitro-2-sulfotoluene 4-Nitrotoluol-2-acid Toluene-4-nitro-2-sulfonic acid PNTOS 2-Methyl-5-nitrobenzenesulfonic acid PARANITROTOLUENE SULFONIC ACID P-NITROTOLUENE SULFONIC ACID PNTOS 2-METHYL-5-NITROBENZENESULFONIC ACID 2-METHYL-5-NITROBENZENESULPHONICACID 2-Methyl-5-nitrobenzenesulfonic acid 121-03-9 2-Methyl-5-nitrobenzenesulfonic acid ISO 9001:2015 REACH 4-nitrotoluene-2-sulfonicaci 4-Nitrotoluene-2-sulfonicAcidHydrate> 4-Nitrotoluene-2-sulfonic acid 10 μg/mL in Acetonitrile PNOTSA 121-03-9 C7H7NO5S2H2O C7H11NO7S C7H7NO5SxH2O C7H7NO5SH2O Intermediates of Dyes and Pigments