2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate

Basic Information

View in Editor

CAS Number

786-31-2

Molecular Formula

C10H10F4O3S

Molecular Weight

286.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

14-16 ºC

Boiling Point

134 °C

Density

1.369

Flash Point

>110°C

Refractive Index

1.4602

SMILES

View in Editor

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

InChI

InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3

InChIKey

IMDNPHAMGJIKNV-UHFFFAOYSA-N

LogP

2.600720000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

356

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate
AKOS003788848
2,2,3,3-tetrafluoropropyl 4-toluenesulphonate
FT-0609082
786-31-2
SY109512
4-methylbenzenesulfonic acid 2,2,3,3-tetrafluoropropyl ester
2,2,3,3-tetrafluoropropyl-p-toluenesulfonate
EN300-7046483
2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate
2,2,3,3-tetrafluoropropanol tosylate
DTXSID10366184
SR-01000195551
W10913
CS-0036906
2,2,3,3-tetrafluoropropyl p-toluenesulfonate
2,2,3,3-tetrafluoropropyl 4-methylbenzene-1-sulfonate
2,2,3,3-tetrafluoropropyl4-methylbenzenesulfonate
AB04142
SR-01000195551-1
MFCD00155960
2,2,3,3-Tetrafluoropropyl tosylate
SCHEMBL743574
1-Propanol,2,2,3,3-tetrafluoro-,1-(4-methylbenzenesulfonate)
C10H10F4O3S
PS-10672
1-Propanol,2,2,3,3-tetrafluoro-, 1-(4-methylbenzenesulfonate)
2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate
2,2,3,3-Tetrafluoropropyl p-toluenesulfonate
2,2,3,3-TETRAFLUOROPROPIONIC ACID
toluene-4-sulfonic acid 2,2,3,3-tetrafluoro-propyl ester

MDL Number

MFCD00155960

FAQ

What are the physical and chemical properties of 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate (CAS: 786-31-2)?

2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate is a crystalline solid with a molecular weight of approximately 338.13 g/mol. It has limited water solubility and is soluble in polar organic solvents such as dimethylformamide (DMF) and dimethylsulfoxide (DMSO). This compound exhibits low reactivity under normal conditions but can undergo substitution reactions under certain conditions, making it useful in organic synthesis. Its physical properties include a melting point of around 55-59°C.

How is 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate (CAS: 786-31-2) typically synthesized?

2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate is typically synthesized through the sulfonation of 4-methylbenzenesulfonic acid with 2,2,3,3-tetrafluoropropyl bromide. This process usually requires the use of a Lewis acid catalyst such as aluminum chloride to promote the electrophilic aromatic substitution. The yield of the reaction is moderate, around 60-70%, and the selectivity is high, ensuring the formation of the desired product.

What industries use 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate (CAS: 786-31-2)?

2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate is used in various industries, particularly in the pharmaceutical and polymer industries. It serves as a sulfonating agent in the synthesis of pharmaceuticals and acts as a functional group in the development of advanced polymers with specific properties. Additionally, it finds applications in the production of sensors and semiconductors where its chemical stability and reactivity are advantageous.

What precautions should be taken when handling 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate (CAS: 786-31-2)?

When handling 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate (CAS: 786-31-2), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood due to its potential volatility. Spills should be cleaned up using appropriate absorbent materials and the area should be properly ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.