3-Butyn-1-yl 4-methylbenzenesulfonate

Basic Information

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CAS Number

23418-85-1

Molecular Formula

C11H12O3S

Molecular Weight

214.29 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

128°C 0,01mm

Flash Point

110 ºC

Refractive Index

1.522-1.524

SMILES

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

InChI

InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3

InChIKey

STOASOOVVADOKH-UHFFFAOYSA-N

LogP

2.1103199999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

323

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

Synonyms & References

English

AKOS005067827
3-butynyl-p-toluenesulfonate
DTXSID30297461
3-butynyl p-toluenesulphonate
PD171440
CS-0012100
HY-79584
EN300-179483
SCHEMBL312901
NSC-116062
but-3-ynyl tosylate
Propargyl-Tos
but-3-ynyl-p-toluenesulfonate
doi:10.14272/STOASOOVVADOKH-UHFFFAOYSA-N.1
10.14272/STOASOOVVADOKH-UHFFFAOYSA-N.1
23418-85-1
NSC 116062
A816708
MFCD00041687
3-butynyl 4-methylbenzenesulfonate
but-3-yn-1-yl 4-methylbenzenesulfonate
3-butynyl tosylate
3-butynyl 4-toluenesulfonate
NSC116062
FS-3991
4(4-Toluenesulfonyloxy)-1-butyne
STOASOOVVADOKH-UHFFFAOYSA-N
4-(4-Toluenesulfonyloxy)-1-butyne
FT-0615276
T2046
toluene-4-sulfonic acid but-3-ynyl ester

MDL Number

MFCD00041687

Customs Code

2905290000

FAQ

What regulatory guidelines apply to 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1)?

3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes health, environmental, and physical hazard classifications. It is also subject to the European Union's REACH regulations, which require manufacturers and importers to register substances above a certain tonnage. Additionally, the substance must comply with FDA and EPA guidelines for use in the United States, including proper labeling and documentation.

Are there alternatives to 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) in synthesis?

For synthesis, 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) can be replaced by similar compounds such as 3-Butyn-1-ol or 4-Methylbenzenesulfonic acid. These alternatives serve as effective substitutes in various reactions, providing similar functional groups and reactivity profiles. However, the choice of alternative depends on the specific application and the desired outcome of the synthesis.

What is the market or research trend for 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1)?

The market for 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) is growing due to its use in organic synthesis and pharmaceuticals. Recent research trends focus on its synthetic applications, particularly in the development of new drug candidates and materials science. The increasing demand in the pharmaceutical industry and the potential for use in green chemistry applications are driving market growth.

How should waste containing 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) be handled?

Waste containing 3-Butyn-1-yl 4-methylbenzenesulfonate (CAS: 23418-85-1) should be collected in appropriate containers and labeled according to hazardous waste regulations. The waste should then be disposed of by incineration or through professional waste disposal services that comply with environmental protection standards. Adequate safety measures and personal protective equipment should be used during handling to prevent exposure and ensure compliance with regulatory requirements.