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About This Item

Linear Formula:
CH3C6H4SO3CH3
CAS Number:
80-48-8
Molecular Weight:
186.23
Beilstein/REAXYS Number:
609209
EC Number:
201-283-5
MDL number:
MFCD00008417
UNSPSC Code:
12352100
PubChem Substance ID:
24849783
NACRES:
NA.22
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vapor density

6.45 (vs air)

Quality Level

200

vapor pressure

1 mmHg ( 20 °C)

assay

98%

form

solid

autoignition temp.

896 °F

refractive index

n20/D 1.5172 (lit.)

bp

144-145 °C/5 mmHg (lit.)

mp

25-28 °C (lit.)

density

1.234 g/mL at 25 °C (lit.)

functional group

tosylate

storage temp.

2-8°C

SMILES string

COS(=O)(=O)c1ccc(C)cc1

InChI

1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3

InChI key

VUQUOGPMUUJORT-UHFFFAOYSA-N

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Related Categories

General description

Methyl p-toluenesulfonate is sulfonate ester present as potentially genotoxic impurity in drug substances. Kinetics of reactions of methyl p-toluenesulfonate with N,N-dimethylaniline has been investigated. It participates in selective 1-substitution reaction of tetrazole.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
WXBD5252V
WXBD2952V
WXBD1720V
WXBC6175V
WXBC6024V

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