1-Naphthyl trifluoromethanesulfonate

Basic Information

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CAS Number

99747-74-7

Molecular Formula

C11H7F3O3S

Molecular Weight

276.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

97-98 °C0.3 mm Hg

Density

1.405 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.52(lit.)

SMILES

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C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey

WQWUQDVFRYMMCY-UHFFFAOYSA-N

LogP

3.068200000000002

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

385

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

1-Naphthyl trifluoromethanesulfonate, 97%
MFCD00192340
XFN7KQP8Q3
NSC-662277
naphthyl triflate
naphthalen-1-yltrifluoromethanesulfonate
AKOS015912623
1-Naphthyl triflate
DTXSID40244229
99747-74-7
SCHEMBL1056365
CS-0368273
1-naphthyl-triflate
NSC 662277
NSC662277
A853171
naphthalen-1-yl trifluoromethanesulfonate
E83879
UNII-XFN7KQP8Q3
BS-53111
1-(Trifluoromethanesulfonyl)naphthalene
1-Naphthalenyl triflate
1-Naphthyl trifluoromethanesulfonate
ZDA74774
Methanesulfonic acid, 1,1,1-trifluoro-, 1-naphthalenyl ester
1-NAPHTHYL TRIFLATE
1-naphthalenyl trifluoromethanesulfonate
trifluoromethanesulfonic acid naphthalen-1-yl ester
trifluoromethanesulfonic ester naphthalene-1-yl ester

MDL Number

MFCD00192340

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7)?

1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7) is a crystalline solid with a molecular weight of approximately 285.06 g/mol. It has a low solubility in water but is soluble in many organic solvents. Chemically, it is highly reactive, particularly with nucleophiles, and can be used as a sulfonating agent in organic synthesis.

How is 1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7) typically synthesized?

1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7) is typically synthesized by the trifluoromethanesulfonation of 1-naphthol using triflic anhydride as the sulfonating agent. The reaction is performed under anhydrous conditions and requires the use of a phase-transfer catalyst to improve the reaction selectivity and yield.

What industries use 1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7)?

1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7) is used in various industries, including pharmaceuticals for the synthesis of active pharmaceutical ingredients, in the production of polymers as a sulfonation agent, and in the fabrication of semiconductor materials for its ability to introduce functional groups into organic compounds.

What precautions should be taken when handling 1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7)?

When handling 1-Naphthyl trifluoromethanesulfonate (CAS: 99747-74-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The reaction should be conducted in a well-ventilated fume hood to minimize exposure to trifluoromethanesulfonic acid. Spills should be handled according to the safety data sheet (SDS) guidelines, and the compound should be stored under appropriate conditions, preferably in a desiccator to prevent moisture absorption.