CAS No.6192-52-5,Benzenesulfonic acid,4-methyl-, hydrate (1:1) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6192-52-5
Name:	Benzenesulfonic acid,4-methyl-, hydrate (1:1)

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:	Xi
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

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%

Downstream Products

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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.