Propargyl benzenesulfonate

Basic Information

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CAS Number

6165-75-9

Molecular Formula

C9H8O3S

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Cryst.

Melting Point

−30 °C

Boiling Point

140-142 °C/2 mmHg

Density

1.243 g/mL at 25 °C

Refractive Index

n20/D 1.525(lit.)

SMILES

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C#CCOS(=O)(=O)c1ccccc1

InChI

InChI=1S/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2

InChIKey

RAGBYXLIHQFIPK-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

285

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

Prop-2-yn-1-yl benzenesulfonate
Propargyl benzenesulfonate
prop-2-ynyl benzenesulfonate
Prop-2-ynyl benzenesulphonate
Propargylbenzenesulfonate
2-Propyn-1-ol, 1-benzenesulfonate
C9H8O3S
2-propynyl benzenesulfonate
KSC354A8F
Propargyl benzenesulfonate, 96%
2-(prop-2-ynyl)benzenesulfonate
RAGBYXLIHQFIPK-UHFFFAOYSA-N
Benzenesulfonic acid propargyl ester
TRA
prop-2-yn-1-yl benzenesulfonate

MDL Number

MFCD00013459

Customs Code

2905290000

FAQ

What regulatory guidelines apply to Propargyl benzenesulfonate (CAS: 6165-75-9)?

Propargyl benzenesulfonate (CAS: 6165-75-9) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its hazardous properties. In the European Union, it falls under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. Additionally, it is subject to the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) guidelines for its use and disposal. Compliance with these regulations ensures safe handling and environmental protection.

Are there alternatives to Propargyl benzenesulfonate in synthesis (CAS: 6165-75-9)?

Propargyl benzenesulfonate (CAS: 6165-75-9) can be replaced by similar compounds such as propargyl tosylate or propargyl benzenesulfonamide in synthesis. These alternatives offer similar functionalities and can be used as substitutes depending on the specific reaction conditions and desired product properties. Consulting with a chemist can help determine the most suitable alternative for your synthesis needs.

What is the market or research trend for Propargyl benzenesulfonate (CAS: 6165-75-9)?

The market for Propargyl benzenesulfonate (CAS: 6165-75-9) is driven by its use in pharmaceuticals, synthetic chemistry, and polymer science. Research trends are focusing on its application in drug discovery and development due to its unique chemical properties. Market dynamics include increasing demand for efficient and safe chemical intermediates, leading to steady growth in research and development activities.

How should waste containing Propargyl benzenesulfonate (CAS: 6165-75-9) be handled?

Waste containing Propargyl benzenesulfonate (CAS: 6165-75-9) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. Incineration is a common disposal method, but professional waste disposal services should be consulted for proper handling. Environmental protection precautions include minimizing exposure and ensuring compliance with local and international environmental regulations to prevent contamination.