| Identification | More | [Name]
p-Toluenesulfonic acid monohydrate | [CAS]
6192-52-5 | [Synonyms]
4-METHYLBENZENESULFONIC ACID MONOHYDRATE
4-TOLUENESULFONIC ACID MONOHYDRATE
4-TOLUENESULPHONIC ACID
4-TOLUENESULPHONIC ACID MONOHYDRATE
METHYLBENZENESULFONIC ACID MONOHYDRATE
PARA TOLUENE SULFONIC ACID
P-TOLUENESULFONIC ACID
P-TOLUENESULFONIC ACID MONOHYDRATE
P-TOLUENESULPHONIC ACID MONOHYDRATE
PTSA
PTS-ACID MONOHYDRATE
PTX
TFF
TOLUENE-4-SULFONIC ACID
TOLUENE-4-SULFONIC ACID MONOHYDRATE
TOLUENE-4-SULPHONIC ACID
TOLUENESULFONIC ACID MONOHYDRATE
TOSIC ACID MONOHYDRATE
TOS-OH H2O
p-Toluenesulfonicacid,monohyd | [EINECS(EC#)]
203-180-0 | [Molecular Formula]
C7H10O4S | [MDL Number]
MFCD00142137 | [Molecular Weight]
190.22 | [MOL File]
6192-52-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystals | [Melting point ]
96-99 °C(lit.)
| [Boiling point ]
140°C 20mm | [density ]
1,24 g/cm3 | [vapor density ]
5.9 (vs air)
| [refractive index ]
1,382-1,384 | [Fp ]
180 °C
| [storage temp. ]
Store at RT. | [solubility ]
H2O: 0.1 g/mL, clear
| [Colour Index ]
42655 | [form ]
Solid | [color ]
White to pink | [PH]
1 (650g/l, H2O, 20℃)(anhydrous substance) | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong bases, most common metals. Protect from moisture. | [Water Solubility ]
soluble | [Sensitive ]
Hygroscopic | [Detection Methods]
T,MP | [Merck ]
14,9533 | [BRN ]
3568023 | [InChIKey]
KJIFKLIQANRMOU-UHFFFAOYSA-N | [CAS DataBase Reference]
6192-52-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenesulfonic acid, 4-methyl-, monohydrate (6192-52-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37:Wear suitable gloves . | [RIDADR ]
UN 2585 8/PG 3
| [WGK Germany ]
-
| [RTECS ]
XT6300000 | [F ]
3 | [Autoignition Temperature]
600 °C | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29041000 | [Toxicity]
LD50 orally in Rabbit: 2570 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Preparation Products]
Ethyl (R)-2-hydroxy-4-phenylbutyrate-->Clemizole-->2-(3-CHLOROPROPYL)-1,3-DIOXOLANE-->4-(1,2,3-THIADIAZOL-4-YL)BENZYLAMINE HYDROCHLORIDE-->4-CHLORO-2-(TETRAHYDRO-2H-PYRAN-2-YL)-5-HYDROXYPYRIDAZIN-3(2H)-ONE-->4-(4-CHLOROPHENYL)-1,2,3-THIADIAZOL-5-AMINE-->3-METHOXYCARBONYL-3-SULFOLENE-->2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID-->Cefoperazone-->4-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-5-AMINE-->4-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3-THIADIAZOL-5-AMINE-->1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone-->LENAMPICILLIN-->4-[4-(BROMOMETHYL)PHENYL]-1,2,3-THIADIAZOLE-->2-AMINO-4-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID-->Saquinavir-->4-PYRIDINEETHANETHIOL HYDROCHLORIDE-->Methyl glycolate-->METHYL 4-BROMO-3-OXOPENTANOATE-->Doxifluridine-->2-Phenyl-2-imidazoline-->Pyridinium p-Toluenesulfonate |
| Hazard Information | Back Directory | [Chemical Properties]
White crystals | [Uses]
Derivitizing agent. | [General Description]
p-Toluenesulfonic acid monohydrate, an oxonium salt, is an inexpensive and easy to handle organic catalyst used in organic synthesis. The study of its crystalline structure shows that it is monoclinic with P21/c space group. Its solubility in aqueous sulfuric acid solutions has been studied. | [storage]
Store at -20°C | [Purification Methods]
Purify the acid by precipitation from a saturated solution at 0o by introducing HCl gas. It can also be crystallised from conc HCl, then crystallised from dilute HCl (charcoal) to remove benzenesulfonic acid. It has been crystallised from EtOH/water. Dry it in a vacuum desiccator over solid KOH and CaCl2. p-Toluenesulfonic acid can be dehydrated by azeotropic distillation with *benzene or by heating at 100o for 4hours under water-pump vacuum. The anhydrous acid can be crystallised from *benzene, CHCl3, ethyl acetate, anhydrous MeOH, or from acetone by adding a large excess of *benzene. It can also be dried under vacuum at 50o. The S-benzylisothiuronium salt has m 182o (from aqueous EtOH). [Beilstein 11 IV 241.] | [Toxics Screening Level]
The initial threshold screening levels (ITSLs) for p-toluenesulfonic acid monohydrate are 1.9 μg/m3, annual averaging time and 230 μg/m3, 1 hour averaging time. |
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