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136417

4-(Methylsulfonyl)benzoic acid

97%

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About This Item

Linear Formula:
CH3SO2C6H4CO2H
CAS Number:
4052-30-6
Molecular Weight:
200.21
NACRES:
NA.22
PubChem Substance ID:
24848280
UNSPSC Code:
12352100
EC Number:
223-756-5
MDL number:
MFCD00007564
Assay:
97%
Form:
solid
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assay

97%

form

solid

mp

268-271 °C (lit.)

functional group

carboxylic acid, sulfone

SMILES string

CS(=O)(=O)c1ccc(cc1)C(O)=O

InChI

1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChI key

AJBWNNKDUMXZLM-UHFFFAOYSA-N

General description

4-(Methylsulfonyl)benzoic acid has pKa value of 3.48 and 8.36 in water and methanol at 25°C.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
03822KE
14728ER
12303HS
11806CQ
04816CG

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Dissociation constants of neutral and charged acids in methyl alcohol. The acid strength resolution.
Rived F, et al.
Analytica Chimica Acta, 374(2), 309-324 (1998)

Global Trade Item Number

SKUGTIN
136417-10G04061838731302
136417-1G04061825582955