p-Toluenesulfonic acid monohydrate supplier

Name
p-Toluenesulfonic acid monohydrate
EINECS 203-180-0
CAS No. 6192-52-5
Density 1.24 g/cm³
Solubility Soluble in water
Melting Point 96-99 °C(lit.)
Formula C₇H₈O₃S. H₂O
Boiling Point 428.9 °C at 760 mmHg
Molecular Weight 190.22
Flash Point 213.2 °C
Transport Information UN 2585 8/PG 3
Appearance white crystals
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonicacid, 4-methyl-, monohydrate (9CI);4-Methylbenzenesulfonic acid monohydrate;4-Toluenesulfonic acid monohydrate;
PSA 71.98000
LogP 2.25820

Synthetic route

: (η5-C5H5)OsH(PPh3)2

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 112246-30-7
dihydrido(η-cyclopentadienyl)bis(triphenylphosphine)osmium(IV)(p-toluenesulphonate)

Conditions

Conditions	Yield
In methanol mixture heated for 2 min at 40°C; evaporated, washed with water, decanted, dried;	100%

: 1204316-79-9
1,1,1-trioctyl-1-methylphosphonium methylcarbonate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 1204316-80-2
tri-n-octyl(methyl)phosphonium tosylate

Conditions

Conditions	Yield
In methanol at 40℃; for 1h;	100%

: 120256-45-3
tri-n-butyl(methyl)phosphonium methyl carbonate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 55767-12-9
tributyl(methyl)phosphonium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
In methanol at 40℃; for 1h;	100%

: 1258887-13-6
tri-n-hexyl(methyl)phosphonium methyl carbonate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 1258887-11-4
tri-n-hexyl(methyl)phosphonium tosylate

Conditions

Conditions	Yield
In methanol at 40℃; for 1h;	100%

: 4-(trans-[1,1'-bi(cyclohexane)]-4-yl)aniline

: 6192-52-5
p-toluenesulfonic acid monohydrate

: C18H27N*C7H8O3S

Conditions

Conditions	Yield
In methanol at 20℃; for 2.5h;	100%

: C25H30Co3MnN3O14

: 6192-52-5
p-toluenesulfonic acid monohydrate

: C30H34Co3MnN3O15S

Conditions

Conditions	Yield
In dichloromethane for 16h;	100%

: 1-(4-iodobenzyl)-3-methylimidazolium tetrafluoroborate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 1-[4-hydroxyl(tosyloxy)-iodobenzyl]-3-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In acetonitrile at 30℃; for 0.5h; Inert atmosphere;	99.1%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 116393-76-1
N-Boc O-tosyl L-homoserine benzyl ester

: 116393-81-8
O-benzenesulphonyl benzyl L-homoserine tosylate

Conditions

Conditions	Yield
In ethanol	99%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 3375-31-3
palladium diacetate

: 103-84-4
Acetanilid

: [(acetanilide(-1H))Pd(p-toluene sulfonato)]2

Conditions

Conditions	Yield
In dioxane heated at 40°C for 10 min; filtered, dried (vac.);	99%
In CH2Cl2 heated at 40°C for 1 min; filtered, dried (vac.);	99%

...Expand

: 16728-01-1
1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 779206-51-8
1-(4-methoxyphenyl)cyclopropanecarboxylic acid methyl ester

Conditions

Conditions	Yield
In methanol; ethyl acetate	99%
In methanol; ethyl acetate	99%
In methanol; ethyl acetate	99%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 75066-50-1
3-benzylthiazolium bromide

: 3-benzylthiazolium paratoluenesulfonate

Conditions

Conditions	Yield
In water at 20℃; for 4h; Inert atmosphere;	99%

: 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 1-[4-hydroxyl(tosyloxy)-iodobenzyl]-3-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
for 0.166667h;	98.9%

: 3240-34-4
[bis(acetoxy)iodo]benzene

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 27126-76-7
[hydroxy(tosyloxy)iodo]benzene

Conditions

Conditions	Yield
for 0.00555556h; Microwave irradiation; neat (no solvent);	98%

: 52178-50-4
Methyl 3-formylbenzoate

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 124038-36-4
3-[1,3]Dioxolan-2-yl-benzoic acid methyl ester

Conditions

Conditions	Yield
In ethylene glycol; toluene	98%

: 25456-85-3
(S)-N-benzyloxycarbonylaspargine t-butyl ester

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 4124-53-2
(S)-2-Amino-succinamic acid tert-butyl ester; compound with toluene-4-sulfonic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In N,N-dimethyl-formamide for 18h;	97%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 86095-66-1
Z-Gly-Phe-Phe-Tyr(But)-AlaOPh

: 86096-07-3
(S)-2-[(S)-2-{(S)-2-[(S)-2-(2-Amino-acetylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-3-(4-tert-butoxy-phenyl)-propionylamino]-propionic acid phenyl ester; compound with toluene-4-sulfonic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In N,N-dimethyl-formamide for 18h;	97%

: 6973-73-5
4-chloro-1-(diacetoxyiodo)benzene

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 73178-07-1
-p-chlorobenzene

Conditions

Conditions	Yield
for 0.00555556h; Microwave irradiation; neat (no solvent);	97%

: 61112-91-2
[((Me)Cp)2MoH2]

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 2C5H4CH3(1-)*Mo(4+)*2O3SC6H4CH3(1-)=(C5H4CH3)2Mo(O3SC6H4CH3)2

Conditions

Conditions	Yield
With acetone In acetone byproducts: 2-propanol; vac.; stirring (room temp., 14 h); removal of volatilies, washing (Et2O), recrystn. (acetone); elem. anal.;	96.2%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 138479-41-1
[1-(3-Fluoro-phenyl)-1-hydroxy-2-nitro-ethyl]-phosphonic acid dimethyl ester

: 138479-34-2
[2-Amino-1-(3-fluoro-phenyl)-1-hydroxy-ethyl]-phosphonic acid dimethyl ester; compound with toluene-4-sulfonic acid

Conditions

Conditions	Yield
With hydrogen; nickel In ethanol at 20 - 25℃; under 760 Torr;	96%

: 118228-22-1
mer,trans-Re(CO)3(PPh3)2CHO

: 6192-52-5
p-toluenesulfonic acid monohydrate

: mer,trans-{Re(CO)3(PPh3)2(CHOH)}(p-MeC6H4SO3)

Conditions

Conditions	Yield
In diethyl ether; dichloromethane N2 atmosphere; addn. of Re-complex to sulfonic acid in CH2Cl2/ether mixt. 3:1 (small portions, room temp.), stirring (5 min); cooling (0°C), pptn. on pentane addn. (stirring), filtration off; elem. anal.;	96%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 116393-76-1
N-Boc O-tosyl L-homoserine benzyl ester

: 116393-79-4
O-tosyl L-homoserine benzyl ester tosylate

Conditions

Conditions	Yield
In ethanol	95%

: 110-87-2
3,4-dihydro-2H-pyran

: 64250-18-6
3-hydroxy-octanenitrile

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 3-(tetrahydro-2H-pyran-2-yloxy)caprylonitrile

Conditions

Conditions	Yield
	95%

...Expand

: 189168-25-0
(C(CH2CH2P(C(CH3)3)2)2CH2RhCH3)

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 284041-45-8
(C(CH2CH2P(C(CH3)3)2)2CH2RhOSO2C6H4CH3)

Conditions

Conditions	Yield
In tetrahydrofuran to soln. (H2CC(CH2CH2P(But)2)2RhMe) in THF HOTs*H2O was added; solvent was evapd., solid was washed with pentane;	95%

: 4Pd(2+)*4CH3COO(1-)*2C6H2(C7H4N2(C2H5))2(2-)=[Pd2(CH3COO)2(C6H2(C7H4N2(C2H5))2)]2

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 2Pd(2+)*2CH3C6H4SO3(1-)*C6H2(C7H4N2(C2H5))2(2-)*2(CH3)2SO=Pd2(CH3C6H4SO3)2(C6H2(C7H4N2(C2H5))2)((CH3)2SO)2

Conditions

Conditions	Yield
In dimethyl sulfoxide addn. of Pd-complex to 2 equiv. of tosyl acid; pptn. on slow diffusion of ether into soln.; elem. anal.;	95%

: 75-09-2
dichloromethane

: 1145982-29-1, 765298-83-7, 766551-17-1
[Pd(κ2-N,C-2-phenylquinoline)(OAc)]

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 603-35-0
triphenylphosphine

: 1144030-76-1
[Pd(κ2-N,C-2-phenylquinoline)(triphenylphosphine)(p-toluenesulfonato)]*CH2Cl2

Conditions

Conditions	Yield
In chloroform stirring of mixt. of (Pd(OAc)(2-phenylquinoline))2, PPh3 and p-toluenesulfonic acid in CHCl3 at room temp. for 15 min; filtration, addn. of hexanes; pptn., filtration, recrystn. from ether CH2Cl2/hexane or CHCl3/hexane; elem. anal.;	95%

...Expand

: 31599-59-4
2-(diacetoxyiodo)toluene

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 73177-97-6
-o-toluene

Conditions

Conditions	Yield
for 0.00555556h; Microwave irradiation; neat (no solvent);	95%

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 615-36-1
2-bromoaniline

: (E)-2-bromo-N-(3-((2-bromophenyl)amino)-2-methylcyclohex-2-en-1-ylidene)benzenaminium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
In toluene for 48h; Reflux;	95%

...Expand

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 104-94-9
4-methoxy-aniline

: (E)-4-methoxy-N-(3-((4-methoxyphenyl)amino)-2-methylcyclohex-2-en-1-ylidene)benzenaminium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
In toluene for 48h; Reflux;	95%

...Expand

: 187597-81-5
Methyl 5,8-dimethoxy-1-hydroxyisochroman-3-yl ketone

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 95033-78-6
1-hydroxyisochroman

Conditions

Conditions	Yield
With triethylamine In water; acetone	94%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 77-76-9
2,2-dimethoxy-propane

: 104227-86-3
6-deoxypenciclovir

: 104227-89-6
5-[2-(2-aminopurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxane

Conditions

Conditions	Yield
With potassium carbonate In water; N,N-dimethyl-formamide	94%

...Expand

p-Toluenesulfonic acid monohydrate Specification

The p-Toluenesulfonic acid monohydrate, with its CAS registry number 6192-52-5, has the IUPAC name of 4-methylbenzenesulfonic acid hydrate. For being a kind of white crystals, it is stable chemically but hygroscopic. And it is also incompatible with strong oxidizing agents, strong bases, and most common metals.

The characteristics of this chemical are as below: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 ; (13)Flash Point: 213.2 °C; (14)Enthalpy of Vaporization: 72.11 kJ/mol; (15)Boiling Point: 428.9 °C at 760 mmHg; (16)Vapour Pressure: 4.06E-08 mmHg at 25°C; (17)Exact Mass: 190.029979; (18)MonoIsotopic Mass: 190.029979; (19)Topological Polar Surface Area: 63.8; (20)Heavy Atom Count: 12; (21)Complexity: 206.

Use of this chemical: p-Toluenesulfonic acid monohydrate could react with 1-acetoxy-hexane to produce 1-(toluene-4-sulfonyloxy)-hexane. This reaction could happen in the presence of the solvent of benzene, and it needs the reaction temperature of 24 hours with the yield of 20 %.

When you are dealing with this kind of chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O
(2)InChI: InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
(3)InChIKey: KJIFKLIQANRMOU-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1683mg/kg (1683mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.
rat	LD50	oral	2570mg/kg (2570mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.

Product Name

p-Toluenesulfonic acid monohydrate

Synthetic route

p-Toluenesulfonic acid monohydrate Specification

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