2-Methylbenzenesulfonyl isocyanate

Basic Information

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CAS Number

32324-19-9

Molecular Formula

C8H7NO3S

Molecular Weight

197.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

129 ºC (5 mmHg)

Flash Point

>110 ºC

Solubility

reacts

Refractive Index

1.539-1.541

SMILES

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CC1=CC=CC=C1S(=O)(=O)N=C=O

InChI

InChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3

InChIKey

HEBTZZBBPUFAFE-UHFFFAOYSA-N

LogP

1.01952

Topological Polar Surface Area

63.57 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

311

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

T3194
2-Methylbenzenesulfonyl Isocyanate Technical grade (~70%)
FT-0639016
DTXSID40369840
Isocyanic Acid o-Toluenesulfonyl Ester
o-toluenesulphonyl isocyanate
GEO-03973
2-methyl-N-(oxomethylidene)benzenesulfonamide
HEBTZZBBPUFAFE-UHFFFAOYSA-N
MFCD00037045
2-methyl-N-(oxidanylidenemethylidene)benzenesulfonamide
J-018706
32324-19-9
SCHEMBL395353
2-methylbenzene-1-sulfonyl isocyanate
2-methylbenzenesulfonylisocyanate
2-Methylbenesulfonyl isocyanate
2-methylbenzenesulfonyl isocyanate
toluenesulfonylisocyanate
BS-22955
AKOS015897562
toluenesulfonyl isocyanate
2-Methylbenesulfonylisocyanate
o-toluenesulfonylisocyanate
o-Toluenesulfonyl isocyanate, 95%
o-Toluenesulfonyl isocyanate
A821235
2-Toluenesulfonyl isocyanate
2-toluenesulfonyl isocyanate
o-Toluenesulfonyl Isocyanate
(2-methylphenyl)sulfonylisocyanate

MDL Number

MFCD00037045

Customs Code

2929109000

FAQ

What regulatory guidelines apply to 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9)?

2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) falls under several regulatory guidelines. It is classified as a hazardous chemical according to the GHS system, requiring appropriate labeling and safety data sheets. Under REACH in the EU, it may require registration if produced or imported in quantities exceeding one tonne per year. FDA and EPA regulations apply to its use in the United States, particularly in industrial and research settings.

Are there alternatives to 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) in synthesis?

Several alternatives to 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) exist for synthesis, including 2-Chlorobenzenesulfonyl isocyanate and 2-Fluorobenzenesulfonyl isocyanate. These alternatives may offer similar reactivity but differ in reactivity and potential toxicity, allowing for tailored synthesis strategies based on specific requirements.

What is the market or research trend for 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9)?

The market and research trends for 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) are focused on its use in organic synthesis and pharmaceuticals. Recent research is exploring its potential in developing novel drugs and materials. Market trends indicate growing demand in academic and industrial research, particularly in areas involving organic transformations and polymer synthesis.

How should waste containing 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) be handled?

Waste containing 2-Methylbenzenesulfonyl isocyanate (CAS: 32324-19-9) should be collected in sealed containers and stored in a well-ventilated area away from sources of ignition. Proper incineration or professional waste disposal services should be utilized. Environmental protection precautions include strict adherence to local regulations and guidelines to prevent contamination of soil and water sources.