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p-Toluenesulfonic acid monohydrate

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p-Toluenesulfonic acid monohydrate Basic information

Product Name:
p-Toluenesulfonic acid monohydrate
Synonyms:
  • 4-Methylbenzenesulfonic acid hydrate
  • Lisinopril EP IMpurity B
  • p-Toluenesulfonic Acid, Monohydrate, ACS
  • Benzenesulfonic acid,4-Methyl-, hydrate (1:1)
  • P-toluene sulfonic acid(water
  • p-Toluenesulfonic acid Monohydrate >=98.0% (T), >=98.0% (HPLC)
  • p-Toluenesulfonic acid monohydrate ACS reagent, >=98.5%
  • p-Toluenesulfonic acid monohydrate ReagentPlus(R), >=98%
CAS:
6192-52-5
MF:
C7H10O4S
MW:
190.22
EINECS:
203-180-0
Product Categories:
  • fine chemical
  • Pharmaceutical intermediates
  • Sulphur Derivatives
  • Organic Acids
  • ACS GradeChemical Synthesis
  • Essential Chemicals
  • Organic AcidsDerivatization Reagents TLC
  • Chemical Synthesis
  • Synthetic Reagents
  • TLC Reagents, S-Z
  • TLC Visualization Reagents (alphabetic sort)
  • Organic Building Blocks
  • Reagent Grade
  • Organic AcidsOrganic Building Blocks
  • Sulfonic/Sulfinic Acids
  • Sulfur Compounds
  • Routine Reagents
Mol File:
6192-52-5.mol
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p-Toluenesulfonic acid monohydrate Chemical Properties

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
Flash point:
180 °C
storage temp. 
Store at +5°C to +30°C.
solubility 
H2O: 0.1 g/mL, clear
form 
Solid
Colour Index 
42655
color 
White to pink
PH
1 (650g/l, H2O, 20℃)(anhydrous substance)
Water Solubility 
soluble
Sensitive 
Hygroscopic
Merck 
14,9533
BRN 
3568023
Stability:
Stable. Incompatible with strong oxidizing agents, strong bases, most common metals. Protect from moisture.
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)
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Safety Information

Hazard Codes 
Xi,C
Risk Statements 
36/37/38-34-37
Safety Statements 
26-37-45-36/37/39
RIDADR 
UN 2585 8/PG 3
WGK Germany 
-
RTECS 
XT6300000
3
Autoignition Temperature
600 °C
TSCA 
Yes
HazardClass 
8
PackingGroup 
III
HS Code 
29041000
Toxicity
LD50 orally in Rabbit: 2570 mg/kg

MSDS

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p-Toluenesulfonic acid monohydrate Usage And Synthesis

Chemical Properties

White crystals

Uses

Derivitizing agent.

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.]

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