2-Propyn-1-yl 4-methylbenzenesulfonate

Basic Information

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CAS Number

6165-76-0

Molecular Formula

C10H10O3S

Molecular Weight

200.26 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

Powder

Boiling Point

344°C at 760 mmHg

Density

1.215 g/mL at 20 °C

Water Solubility

Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate. Not miscible in water.

Refractive Index

n20/D 1.530

SMILES

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

InChI

InChI=1S/C10H10O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3

InChIKey

LMBVCSFXFFROTA-UHFFFAOYSA-N

LogP

1.72022

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

309

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

Prop-2-yn-1-yl 4-methylbenzenesulfonate
CS-W015112
p-TOLUENESULFONIC ACID, 2-PROPYNYL ESTER
AC-7059
EN300-5034481
prop-2-yn-1-yl 4-methylbenzene-1-sulfonate
6165-76-0
2-Propynyl 4-methylbenzenesulfonate #
2-propynyl p-toluenesulfonate
DTXSID80210665
SY025680
XBC3GGJ44A
AKOS015840418
prop-2-ynyl 4-methylbenzenesulfonate
p-Toluenesulfonic Acid Propargyl Ester
Propargyl p-toluenesulfonate
T1455
Propargylp-toluenesulfonate
Propargyl p-toluenesulfonate, >=97.0% (GC)
SCHEMBL1117279
Propargyl Tosylate
AS-19271
Propargyl p-toluenesulphonate
CCRIS 9146
NS00123213
A852321
AB10387
2-Propyn-1-ol, 4-methylbenzenesulfonate
MFCD01462194
4-11-00-00263 (Beilstein Handbook Reference)
BRN 1912957

MDL Number

MFCD01462194

Customs Code

2905290000

FAQ

What are the physical and chemical properties of 2-Propyn-1-yl 4-methylbenzenesulfonate (CAS: 6165-76-0)?

2-Propyn-1-yl 4-methylbenzenesulfonate is a crystalline compound with a molecular weight of approximately 209.23 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively stable under normal conditions but can react with strong bases. It is used in various synthetic applications due to its functional groups.

How is 2-Propyn-1-yl 4-methylbenzenesulfonate (CAS: 6165-76-0) typically synthesized?

2-Propyn-1-yl 4-methylbenzenesulfonate is typically synthesized by reacting 4-methylbenzenesulfonyl chloride with propargyl alcohol. This reaction requires a suitable base and is carried out in an organic solvent. The yield is generally good, and the product can be isolated by filtration and recrystallization.

What industries use 2-Propyn-1-yl 4-methylbenzenesulfonate (CAS: 6165-76-0)?

2-Propyn-1-yl 4-methylbenzenesulfonate is used in the pharmaceutical industry for the synthesis of complex molecules and in the polymer industry for modifying plastic properties. It is also utilized in the production of sensors and in semiconductor manufacturing due to its functional groups.

What precautions should be taken when handling 2-Propyn-1-yl 4-methylbenzenesulfonate (CAS: 6165-76-0)?

When handling 2-Propyn-1-yl 4-methylbenzenesulfonate, use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Store the compound in a cool, dry place away from ignition sources. In case of a spill, neutralize with a suitable acid or base before cleaning up. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.