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6192-52-5

Basic Information
CAS No.: 6192-52-5
Name: p-Toluenesulfonic acid monohydrate
Molecular Structure:
Molecular Structure of 6192-52-5 (p-Toluenesulfonic acid monohydrate)
Formula: C7H8O3S. H2O
Molecular Weight: 190.22
Synonyms: Benzenesulfonicacid, 4-methyl-, monohydrate (9CI);4-Methylbenzenesulfonic acid monohydrate;4-Toluenesulfonic acid monohydrate;
EINECS: 203-180-0
Density: 1.24 g/cm3
Melting Point: 96-99 °C(lit.)
Boiling Point: 428.9 °C at 760 mmHg
Flash Point: 213.2 °C
Solubility: Soluble in water
Appearance: white crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37
Transport Information: UN 2585 8/PG 3
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In methanol at 20℃; for 2.5h;100%

C25H30Co3MnN3O14

6192-52-5

p-toluenesulfonic acid monohydrate

C30H34Co3MnN3O15S

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In ethanol99%
6192-52-5

p-toluenesulfonic acid monohydrate

3375-31-3

palladium diacetate

103-84-4

Acetanilid

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

Conditions
ConditionsYield
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%
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
ConditionsYield
In methanol; ethyl acetate99%
In methanol; ethyl acetate99%
In methanol; ethyl acetate99%
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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.