3-Methylbenzenesulfonyl chloride

Basic Information

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CAS Number

1899-93-0

Molecular Formula

C7H7ClO2S

Molecular Weight

190.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

252-253 °C

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.5490(lit.)

SMILES

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

InChI

InChI=1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3

InChIKey

KFPMLWUKHQMEBU-UHFFFAOYSA-N

LogP

1.92252

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

217

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-tolyl sulfonyl chloride
3-methylbenzenesulfonic acid chloride
FT-0601945
A929580
3-tolylsulfonyl chloride
AM803432
Benzenesulfonyl chloride, 3-methyl-
m-methylbenzene-1-sulfonyl chloride
F9995-0400
DTXSID90370380
toluene-3-sulfonyl chloride
3-methyl-benzenesulfonyl chloride
A24508
3-methylbenzenesulfonyl Chloride
CS-0073786
SCHEMBL213635
m-toluenesulfonic acid chloride
M-TOLUENESULFONYLCHLORIDE
m-methylphenylsulfonylchloride
EN300-17010
AKOS000266228
AKOS024348805
3-toluenesulphonyl chloride
3-Toluenesulfonyl chloride
J-012266
m-Toluenesulfonyl chloride
3-methyl-benzenesulphonyl chloride
BP-10571
1899-93-0
3-methylphenylsulfonyl chloride
MFCD00051747

MDL Number

MFCD00051747

Customs Code

2904909090

FAQ

What regulatory guidelines apply to 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0)?

3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) is regulated under various international guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the United States. It is classified as a hazardous chemical due to its reactivity and potential for skin irritation and inhalation hazards.

Are there alternatives to 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) in synthesis?

Alternative reagents to 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) in synthesis include other sulfonating agents like p-toluenesulfonyl chloride (PTSC) or mesyl chloride. These alternatives offer similar functionalities but may differ in reactivity and toxicity, making them suitable for specific synthesis conditions.

What is the market or research trend for 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0)?

The market for 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) shows a steady demand in pharmaceutical and fine chemical industries due to its use as a sulfonating agent. Research trends focus on its applications in medicinal chemistry, where it is used for the introduction of sulfonamide groups. Recent studies also explore its use in green chemistry and sustainable processes.

How should waste containing 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) be handled?

Waste containing 3-Methylbenzenesulfonyl chloride (CAS: 1899-93-0) should be collected in appropriate containers, ensuring proper labeling. It should be disposed of through professional waste disposal services, typically incineration or chemical treatment to neutralize the compound. Environmental protection measures include using personal protective equipment and following local waste management regulations to prevent contamination.