4-Aminotoluene-3-sulfonic acid supplier

Name
4-Aminotoluene-3-sulfonic acid
EINECS 201-831-3
CAS No. 88-44-8
Article Data42
CAS DataBase
Density 1.431 g/cm³
Solubility 32g/L(19 oC)
Melting Point 300 °C
Formula C₇H₉NO₃S
Boiling Point 375oC
Molecular Weight 187.219
Flash Point
Transport Information UN 2585 8/PG 3
Appearance beige crystalline powder
Safety 53-26-27-28-36/37/39-45-28A
Risk Codes 45-34
Molecular Structure
Hazard Symbols T, C
Synonyms m-Toluenesulfonicacid, 6-amino- (6CI,7CI,8CI);1-Amino-4-methylbenzene-2-sulfonic acid;2-Amino-5-methyl-1-benzenesulfonic acid;2-Amino-5-methylbenzenesulfonic acid;4-Amino-1-methylbenzene-3-sulfonic acid;4-Aminotoluene-3-sulphonic acid;4-Methyl-2-sulfoaniline;4-Methylaniline-2-sulfonic acid;6-Amino-m-toluenesulfonic acid;Benzenesulfonic acid,2-amino-5-methyl-;PTMS;PTMSA;p-Toluidine-2-sulfonic acid;p-Toluidine-m-sulfonic acid;
PSA 88.77000
LogP 2.48590

Synthetic route

: 2942-15-6
6-methylbenzothiazole

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With [RuCl(P(C6H5)3)2(O(C6H4)NCH(C4H3N))]; bromamine B; sodium hydroxide In water; acetonitrile at 39.84℃; for 4h;	96%

: 106-49-0
p-toluidine

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid for 0.0416667h; microwave irradiation;	84%
With sulfuric acid at 170 - 180℃; for 3h;	70%
With sulfuric acid at 210 - 230℃;

: 540-25-0
4-toluidinium hydrogen sulfate

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
for 0.00833333h; microwave irradiation;	78%

: 99-99-0
1-methyl-4-nitrobenzene

A: 19063-15-1
4-methylphenylsulfamic acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sodium disulfite

: 118-88-7
4-amino-toluene-2-sulfonic acid

A: 68734-90-7
4-amino-toluene-3,5-disulfonic acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 180 - 200℃;

: 599-86-0
4-methyl-N-(4-methylphenyl)benzenesulfonamide

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid

: 623-10-9
N-(4-methylphenyl)hydroxylamine

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With ethanol; sulfur dioxide

: N,N-di-p-tolyl urea

A: 118-88-7
4-amino-toluene-2-sulfonic acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 150 - 160℃;

: 4-(4-dimethylamino-phenylazo)-toluene-3-sulfonic acid

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B: 99-98-9
4-amino-N,N-dimethylaniline

Conditions

Conditions	Yield
durch Reduktion;

: 861519-01-9
4-ureido-toluene-3-sulfonic acid

: 108-24-7
acetic anhydride

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 861519-01-9
4-ureido-toluene-3-sulfonic acid

: 75-36-5
acetyl chloride

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 110℃; im Rohr;

: 861519-01-9
4-ureido-toluene-3-sulfonic acid

: 62-53-3
aniline

A: 603-54-3
N,N-diphenylurea

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 160℃;

...Expand

: 103-89-9
4-Methylacetanilide

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 140 - 170℃;

: 64808-23-7
sodium p-methylphenylsulphamate

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B: 106-49-0
p-toluidine

Conditions

Conditions	Yield
In methanol for 0.0166667h; Product distribution; Irradiation; var. solvents; var. radical scavangers;	A 41.2 % Chromat. B 54.1 % Chromat.

: 70210-46-7
reactive red 45

: 67-63-0
isopropyl alcohol

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B: 3-Amino-5-[4-chloro-6-(methyl-phenyl-amino)-[1,3,5]triazin-2-ylamino]-4-hydroxy-naphthalene-2,7-disulfonic acid

C: 67-64-1
acetone

Conditions

Conditions	Yield
In water Irradiation;

...Expand

: 540-25-0, 24683-13-4, 68734-86-1
bis(4-toluidinium)sulfate

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 250℃; under 60 Torr; for 0.333333h;
at 250℃; under 60 Torr; for 0.333333h; Product distribution; Thermodynamic data; thermal decomposition; ΔH; activation energy; intermediates and reaction mechanism; cross sulfonation with α-naphthylamine;

: 4554-06-7
6-methyl-1,1-dioxo-1,2-benzothiazol-3-one

alkaline potassium hypochlorite: alkaline potassium hypochlorite

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 80℃;

: 7664-93-9
sulfuric acid

: 106-49-0
p-toluidine

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 210 - 230℃;
In thiophene

: 7664-93-9
sulfuric acid

: 106-49-0
p-toluidine

A: 118-88-7
4-amino-toluene-2-sulfonic acid

B: 68734-90-7
4-amino-toluene-3,5-disulfonic acid

C: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 180℃; bis der Geruch nach schwefliger Saeure bemerkbar;

...Expand

: 623-11-0
1-methyl-4-nitrosobenzene

aqueous NaHSO3-solution: aqueous NaHSO3-solution

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B: 106-49-0
p-toluidine

...Expand

: 623-11-0
1-methyl-4-nitrosobenzene

Na2SO3-solution: Na2SO3-solution

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B: 106-49-0
p-toluidine

...Expand

: 7664-93-9
sulfuric acid

: 599-86-0
4-methyl-N-(4-methylphenyl)benzenesulfonamide

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 68734-90-7
4-amino-toluene-3,5-disulfonic acid

A: 7664-93-9
sulfuric acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 200℃;

: 68734-90-7
4-amino-toluene-3,5-disulfonic acid

: 7732-18-5
water

A: 7664-93-9
sulfuric acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
at 140℃;

...Expand

: 99-99-0
1-methyl-4-nitrobenzene

disulfite solution: disulfite solution

A: 19063-15-1
4-methylphenylsulfamic acid

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

...Expand

: 106-49-0
p-toluidine

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B 4-amino-toluene-sulfonic acid-(2); 4-amino-toluene-disulfonic acid-(3.5): 4-amino-toluene-sulfonic acid-(2); 4-amino-toluene-disulfonic acid-(3.5)

Conditions

Conditions	Yield
With sulfuric acid at 180℃;

: 67-56-1
methanol

: 10449-13-5
4,4'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-1,5-diyl-di-amino)-bis-toluene-3-sulfonic acid

tin: tin

A: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

B anthracenehexol-(1.4.5.8.9.10): anthracenehexol-(1.4.5.8.9.10)

Conditions

Conditions	Yield
Einleiten von Chlorwasserstoff;

...Expand

: 64-17-5
ethanol

: 623-10-9
N-(4-methylphenyl)hydroxylamine

: 7782-99-2
sulphurous acid

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

...Expand

: 7647-01-0
hydrogenchloride

: 4988-32-3
4-(4-amino-3-bromo-9,10-dioxo-9,10-dihydro-[1]anthrylamino)-toluene-3-sulfonic acid

tin dichloride: tin dichloride

A: 17648-03-2
9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

B: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 248590-47-8
25,26,27,28-tetrakis(hydroxy)calix[4]arene

: 5,11,17,23-tetrakis[(p-methyl-o-sulfophenyl)azo]-25,26,27,28-tetrahydroxycalix[4]arene

Conditions

Conditions	Yield
Stage #1: 2-Amino-5-methylbenzenesulfonic acid With hydrogenchloride; sodium nitrite for 0.0333333h; Stage #2: 25,26,27,28-tetrakis(hydroxy)calix[4]arene With sodium carbonate In water for 0.0333333h; microwave irradiation; Further stages.;	92%

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 81-30-1
1,4,5,8-naphthalenetetracarboxylic dianhydride

: 479-27-6
naphthalene-1,8-diamine

: 5-methyl-2-(1,3,6-trioxo-3,6-dihydrobenzo-[lmn]-perimidino[2,1-b][3,8]phenanthroline-2(1H)-yl)-benzenesulfonic acid

Conditions

Conditions	Yield
With 1H-imidazole at 170℃; for 3h;	83%

...Expand

: 1121-60-4
pyridine-2-carbaldehyde

: copper(II) choride dihydrate

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: C13H13ClCuN2O4S

Conditions

Conditions	Yield
Stage #1: pyridine-2-carbaldehyde; 2-Amino-5-methylbenzenesulfonic acid In methanol; water at 60℃; for 1h; Stage #2: copper(II) choride dihydrate In methanol; water at 20℃; for 1h;	82%

...Expand

: 1121-60-4
pyridine-2-carbaldehyde

: copper(II) choride dihydrate

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 7732-18-5
water

: C13H13ClCuN2O4S

Conditions

Conditions	Yield
Stage #1: pyridine-2-carbaldehyde; 2-Amino-5-methylbenzenesulfonic acid; water at 60℃; for 1h; Stage #2: copper(II) choride dihydrate at 20℃; for 1h;	82%

...Expand

: 50-00-0
formaldehyd

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 203864-48-6
2-Dimethylamino-5-methyl-benzenesulfonic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol; water under 2068.6 Torr;	78%

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 81-30-1
1,4,5,8-naphthalenetetracarboxylic dianhydride

: 95-54-5
1,2-diamino-benzene

: 5-methyl-2-(1,3,6-trioxo-3,6-dihydrobenzimidazo[2,1-b]benzo[imn][3,8]-phenanthrolin-2-yl)benzenesulfonic acid

Conditions

Conditions	Yield
With 1H-imidazole at 170℃; for 4h;	76%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 142-71-2
copper diacetate

: 38399-46-1
2-hydroxy-3-carboxy-1-naphtaldehyde

: 2CO2C10H5(O)CHNHC6H3(SO3)CH3(2-)*2Cu(2+)*4H2O=(CO2C10H5(O)CHNHC6H3(SO3)CH3Cu(H2O)2)2

Conditions

Conditions	Yield
With water In ethanol; water 2-hydroxy-3-carboxy-1-naphtaldehyde (0.001 mol) in warm EtOH was added to a soln. of 4-methyl-2-sulphonic acid aniline (0.001 mol) in hot water; the resulting orange soln. was cooled and filtered, the aq. soln. of Cu-compd. (0.001 mol) was added ;; the ppt. was filtered off, washed with water and dried over silica gel under vacuum; elem anal.;;	75%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 764-63-6
(E)-3-ethoxyacrylaldehyde

A: 76889-71-9
sodium 2-(3-oxo-1-propenylamino)-5-methylbenzenesulfonate

B: C17H16N2O6S2(2-)*2Na(1+)

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water Ambient temperature;	A 72.5% B n/a

...Expand

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 557-34-6
zinc diacetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))zinc*4.5hydrate

Conditions

Conditions	Yield
With water In ethanol; water metal salt and 4-methyl 2-sulphonic acid aniline soln. in H2O filtered,stirred, soln. of 2-hydroxy 5-methyl isophthalaldehyde in EtOH added dropwise at room temp., stirred for 2 h; solid filtered off, washed with water, dried (vac.); elem. anal.;	71%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 2-amino-5-methylbenzenesulfonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid at 0 - 80℃; for 3h;	70%
With chlorosulphuric acid; sulfuric acid
With chlorosulphuric acid; sulfuric acid

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 142-71-2
copper diacetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))copper*tetrahydrate

Conditions

Conditions	Yield
With water In ethanol; water 4-methyl 2-sulphonic acid aniline in boiling water soln. mixed with 2-hydroxy 5-methyl isophthalaldehyde in hot EtOH soln., filtered hot, cooled to room temp., heated, soln. of Cu salt in H2O dropwise added with stirring; solid filtered, washed with H2O, dried (vac.); elem. anal.;	68%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: Sodium 2-iodo-5-methylbenzenesulfonate

Conditions

Conditions	Yield
Stage #1: 2-Amino-5-methylbenzenesulfonic acid With hydrogenchloride; sodium nitrite In water at 0 - 5℃; Stage #2: With sodium iodide In water at 0 - 50℃;	67%
With hydrogenchloride; urea; sodium iodide; sodium nitrite 1.) H2O, 0-5 deg C, 30 min, 2.) H2O, 0-5 deg C, 2 h; r.t., 1 h; 50 deg C, 13 h; Yield given. Multistep reaction;
Stage #1: 2-Amino-5-methylbenzenesulfonic acid With hydrogenchloride; sodium nitrite Stage #2: With potassium iodide Further stages.;

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 142-72-3, 92123-19-8
magnesium acetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))magnesium*4.5H2O

Conditions

Conditions	Yield
In water metal salt and 4-methyl 2-sulphonic acid aniline hot soln. filtered, stirred at 60°C, hot soln. of 2-hydroxy 5-methyl isophthalaldehyde dropwise added; cooled, filtered, standed overnight at 5°C, crystals filtered off, washed with water, then with acetone, dried (vac.); elem. anal.;	62%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 139778-27-1
2-Iodo-5-methylbenzenesulfonic acid

Conditions

Conditions	Yield
Stage #1: 2-Amino-5-methylbenzenesulfonic acid With sodium carbonate In water Stage #2: With sodium nitrite In water at 0℃; for 0.75h; Further stages;	56%
Multi-step reaction with 2 steps 1: 1.) NaNO2, conc. HCl, 2.) NaI, urea / 1.) H2O, 0-5 deg C, 30 min, 2.) H2O, 0-5 deg C, 2 h; r.t., 1 h; 50 deg C, 13 h 2: 65 percent / aq. HCl / r.t., 3 h; 50 deg C, 2 h; r.t., overnight View Scheme
Stage #1: 2-Amino-5-methylbenzenesulfonic acid With sodium carbonate; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With hydrogenchloride In water for 0.5h; Cooling with ice; Stage #3: With potassium iodide In water at 0 - 80℃;

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 4-Methyl-7-thia-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene 7,7-dioxide

Conditions

Conditions	Yield
With phosphorus pentachloride In trichlorophosphate	55%

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 638-38-0, 993-02-2, 2180-18-9, 15411-95-7, 22981-23-3, 27004-39-3
manganese(II) acetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))manganese*1.5hydrate*di-acetic acid

Conditions

Conditions	Yield
In water metal salt and 4-methyl 2-sulphonic acid aniline hot soln. filtered, stirred at 60°C, hot soln. of 2-hydroxy 5-methyl isophthalaldehyde dropwise added; cooled, filtered, standed overnight at 5°C, crystals filtered off, washed with water, then with acetone, dried (vac.); elem. anal.;	53%

...Expand

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 373-02-4, 14998-37-9, 33025-09-1, 94044-50-5, 98268-31-6
nickel diacetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))nickel*4.5hydrate

Conditions

Conditions	Yield
With water In ethanol; water metal salt and 4-methyl 2-sulphonic acid aniline soln. in H2O filtered,stirred, soln. of 2-hydroxy 5-methyl isophthalaldehyde in EtOH added dropwise at room temp., stirred for 2 h; solid filtered off, washed with water, dried (vac.), recrystd. (water);elem. anal.;	50%

...Expand

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 71-48-7, 917-69-1, 5931-89-5, 55881-15-7, 68931-68-0, 68931-69-1, 93029-27-7
cobalt(II) acetate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))cobalt*4.5hydrate

Conditions

Conditions	Yield
With water In ethanol; water metal salt and 4-methyl 2-sulphonic acid aniline soln. in water filtered, stirred, soln. of 2-hydroxy 5-methyl isophthalaldehyde in EtOH added dropwise at room temp., stirred for 2 h; solid filtered off, washed with water, dried (vac.); elem. anal.;	50%

...Expand

: 1121-60-4
pyridine-2-carbaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 7732-18-5
water

: 34946-82-2
copper(II) bis(trifluoromethanesulfonate)

: C26H22Cu2N4O6S2(2+)*2CF3O3S(1-)

Conditions

Conditions	Yield
Stage #1: pyridine-2-carbaldehyde; 2-Amino-5-methylbenzenesulfonic acid; water In methanol at 60℃; for 1h; Stage #2: copper(II) bis(trifluoromethanesulfonate) In methanol for 1h;	40%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 4,4'-azotoluene-3,3'-disulfonic acid

Conditions

Conditions	Yield
With sodium perborate hexahydrate; boric acid; acetic acid at 60℃; for 6h;	35%

: 7310-95-4
2-Hydroxy-5-methylisophthalaldehyde

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: iron(II) sulfate

: (N,N-(2-hydroxy-5-methyl-1,3-dibenzylidine)-bis-(4-methyl-2-sulphonate aniline))iron*1.5hydrate*di-acetic acid

Conditions

Conditions	Yield
With water; sodium acetate In water (N2); metal salts and 4-methyl 2-sulphonic acid aniline hot soln. filtered, stirred at 60°C, hot soln. of 2-hydroxy 5-methyl isophthalaldehyde dropwise added; cooled, filtered, standed overnight at 5°C, crystals filtered off, washed with water, then with acetone, dried (vac.); elem. anal.;	30%

...Expand

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 1765-40-8
(bromomethyl)pentafluorobenzene

: potassium 2-(2,3,4,5,6-pentafluorobenzylamino)-5-methylphenyl sulfonate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h;	24%

: 590-28-3
potassium cyanate

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 861519-01-9
4-ureido-toluene-3-sulfonic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 609-93-8
2,6-dinitro-p-cresol

Conditions

Conditions	Yield
Diazotization.Erhitzen der Diazoniumverbindung mit verd. Salpetersaeure;
With nitrogen oxides; water

: 88-44-8
2-Amino-5-methylbenzenesulfonic acid

: 6968-24-7
2,6-Dibromo-4-methylaniline

Conditions

Conditions	Yield
With water; bromine

4-Aminotoluene-3-sulfonic acid Consensus Reports

Reported in EPA TSCA Inventory.

4-Aminotoluene-3-sulfonic acid Specification

The IUPAC name of 4-Aminotoluene-3-sulfonic acid is 2-amino-5-methylbenzenesulfonic acid. With the CAS registry number 88-44-8, it is also named as 6-Amino-m-toluenesulfonic acid; Kyselina 4-toluidin-3-sulfonova. The product's categories are intermediates of dyes and pigments and organics. It is beige crystalline powder.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 45.34 cm³; (14)Molar Volume: 130.7 cm³; (15)Polarizability: 17.97×10^-24 cm³; (16)Surface Tension: 61.7 dyne/cm; (17)Rotatable Bond Count: 1; (18)Exact Mass: 187.030314; (19)MonoIsotopic Mass: 187.030314; (20)Topological Polar Surface Area: 88.8; (21)Heavy Atom Count: 12.

The 4-Aminotoluene-3-sulfonic acid can be obtained by p-toluidine which reacts with sulfuric acid, then translocation by high-temperature baking to get crude product. Or translocation sulfonation in the presence of organic solvents to obtain the product. Solvent process route is reasonable, high solvent recovery, and good product quality (purity 98.5%). The yield is above 90%.

The 4-Aminotoluene-3-sulfonic acid can be used as ntermediates of dyes and pigments and in the production of pigment C.I.57: 1. It also can used in many organic synthesis. For example: It reacts with formaldehyde to get 2-dimethylamino-5-methyl-benzenesulfonic acid. This reaction needs reagent H₂, catalytic agent Pd/C, and solvent methanol H₂O at pressure of 2068.6. The yield is 78%.

When you are using this chemical, please be cautious about it as the following. It may cause burns and cancer. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: O=S(=O)(O)c1cc(ccc1N)C;
2.InChI: InChI=1/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11).

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	11700mg/kg (11700mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1054, 1986.

Product Name

4-Aminotoluene-3-sulfonic acid

Synthetic route

4-Aminotoluene-3-sulfonic acid Consensus Reports

4-Aminotoluene-3-sulfonic acid Specification

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