2,4-Dimethylbenzenesulfonic acid

Basic Information

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CAS Number

88-61-9

Molecular Formula

C8H10O3S

Molecular Weight

186.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

58.0 to 64.0 deg-C

Boiling Point

290.72°C (rough estimate)

Density

1.3286 (rough estimate)

Water Solubility

almost transparency

Refractive Index

1.5250 (estimate)

SMILES

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CC1=CC(=C(C=C1)S(=O)(=O)O)C

InChI

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

InChIKey

CHZLVSBMXZSPNN-UHFFFAOYSA-N

LogP

1.55014

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

240

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

InChI=1/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11
88-61-9
DTXSID1047023
m-Xylenesulfonic acid
F71235
2,4-DimethylbenzenesulfonicAcid
LS-162615
AKOS006229887
AM101463
W-100398
FT-0629042
2,4-Dimethyl-benzenesulfonic acid
CHEMBL3305957
FT-0655976
D0680
ETHYL2-[(1-FORMYL-2-NAPHTHYL)OXY]ACETATE
UNII-NMK3P488V0
4-11-00-00500 (Beilstein Handbook Reference)
Q27284956
2,4-dimethylbenzene-1-sulfonic acid
m-Xylene-4-sulphonic acid
m-Xylene-4-sulfonic acid
SXA-60
BRN 1949917
Benzenesulfonic acid, 2,4-dimethyl-
SCHEMBL26645
2,4-DIMETHYLBENZENESULFONIC ACID
2,4-Xylenesulfonic acid
NMK3P488V0
EINECS 201-843-9
MFCD00007483

MDL Number

MFCD12407222

Customs Code

2904100000

FAQ

What regulatory guidelines apply to 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9)?

2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) is regulated by various guidelines, including GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. In the EU, it falls under the REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulations. FDA and EPA have specific requirements for handling and disposing of this compound in the United States. Compliance with these regulations is essential for safe handling and use.

Are there alternatives to 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) in synthesis?

Yes, there are alternatives to 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) in synthesis. Common substitutes include benzenesulfonic acid, toluenesulfonic acid, and other sulfonic acids. These alternatives can offer similar catalytic properties depending on the specific reaction conditions and requirements.

What is the market or research trend for 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9)?

The market for 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) is growing due to its use in organic synthesis and as a reagent in various chemical processes. Research trends are focusing on its applications in green chemistry and sustainable chemical production. Increasing demand in pharmaceutical and fine chemical industries is driving market growth. Environmental concerns are also influencing research towards more eco-friendly alternatives.

How should waste containing 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) be handled?

Waste containing 2,4-Dimethylbenzenesulfonic acid (CAS: 88-61-9) should be collected and handled according to local and international regulatory guidelines. Proper incineration or professional waste disposal services are recommended. Environmental protection measures include ensuring containment and preventing soil and water contamination. Disposal should be done in accordance with hazardous waste regulations to ensure safety and compliance.