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Merck

1.09613

Toluene-4-sulfonic acid monohydrate

for analysis EMSURE® ACS

Synonym(s):

Toluene-4-sulfonic acid monohydrate, p-Toluenesulfonic acid, Tosylic acid, Tosic acid, PTSA

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About This Item

Empirical Formula (Hill Notation):
C7H8O3S · xH2O
CAS Number:
Molecular Weight:
172.20 (anhydrous basis)
UNSPSC Code:
12352106
EC Index Number:
203-180-0
NACRES:
NA.21
MDL number:
Assay:
≥99.0% anhydrous basis (acidimetric)
Grade:
ACS reagent
Form:
crystals
Solubility:
750 g/L
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grade

ACS reagent

Quality Segment

product line

EMSURE®

assay

≥99.0% anhydrous basis (acidimetric)

form

crystals

autoignition temp.

600 °C

potency

2570 mg/kg LD50, oral (Rat)

composition

Water, 9.5-11.5% Karl Fischer

impurities

≤0.1% Sulfated ash

pH

1 (20 °C, 650 g/L in H2O, anhydrous substance)

bp

140 °C/27 hPa

mp

56 °C (Elimination of water of crystallisation)

transition temp

flash point 180 °C

solubility

750 g/L

bulk density

510 kg/m3

anion traces

sulfate (SO42-): ≤0.3%

cation traces

Fe: ≤0.01%, Na: ≤0.002%, heavy metals (as Pb): ≤0.001%

storage temp.

15-25°C

SMILES string

[S](=O)(=O)([O-])c1ccc(cc1)C.[O+H3]

InChI

1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2

InChI key

KJIFKLIQANRMOU-UHFFFAOYSA-N

Analysis Note

Assay (acidimetric, calc. on anhydrous substance): ≥ 99.0 %
Identity: passes test
Appearance of solution: conforms
Sulphate (SO₄): ≤ 0.3 %
Heavy metals (as Pb): ≤ 0.001 %
Fe (Iron): ≤ 0.01 %
Na (Sodium): ≤ 0.002 %
TLC-Test: passes test
Sulfated ash: ≤ 0.1 %
Water (according to Karl Fischer): 9.5 - 11.5 %

Other Notes

Replaces: TX0770; TX0770-3

Legal Information

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany


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pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1C - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible, corrosive hazardous materials

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable



Certificates of Analysis (COA)

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