1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide

Basic Information

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CAS Number

37595-74-7

Molecular Formula

C8H5F6NO4S2

Molecular Weight

357.25 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

100-102 °C <br />100-102 °C

Boiling Point

305.3°C at 760 mmHg

Density

1.7660

Flash Point

138.4℃

Solubility

Soluble in methanol. Slightly soluble in chloroform and ethyl acetate.

SMILES

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C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H

InChIKey

DIOHEXPTUTVCNX-UHFFFAOYSA-N

LogP

2.1921999999999997

Topological Polar Surface Area

71.52000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

518

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive

Synonyms & References

English

N-Phenyl-bis(trifluoromethanesulfonimide)
N-phenyl trifluoromethanesulfonimide
Tf2NPh
N-phenytrifluoromethanesulfonimide
PHENYL TRIFLIMIDE [MI]
N-phenylbis-(trifluoromethanesulfonimide)
n-phenyl triflimide
EC 609-445-0
MFCD00000404
AKOS005063445
SCHEMBL64494
1, 1, 1-trifluoro-N-phenyl-N-(trifluoromethane)sulfonylmethane-sulfonamide
DTXSID70191030
J-523218
RB3217
N-phenyl-bis (trifluoromethane)sulfonimide
N-phenyl-bis(trifluoromethane sulfonimide)
N,N-bistrifluoromethanesulfonyl aniline
N,N-Bis(trifluoromethylsulfonyl)aniline;1,1,1-Trifluoro-N-phenyl-N-((trifluoromethyl)sulfonyl)methanesulfonamide
CS-B0879
N,N-bis(trifluoromethanesulphonyl) aniline
N,N-bis-(trifluoromethanesulfonyl)-aniline
1,1,1-trifluoro-N-phenyl-N-trifluoromethanesulfonylmethanesulfonamide
N,N-bis(Trifluoromethanesulfonyl) aniline
N-phenyltrifluromethanesulfonimide
trifluoro-N-phenyl-N-(trifluoromethylsulfonyl) methanesulfonamide
n-phenyltrifluoromethane sulphonimide
N-phenyl bis(trifluoromethane sulfonimide)
1,1,1-Trifluoro-N-phenyl-N-(trifluoro-methyl-sulfonyl)methane-sulfonamide
HY-40293
(CF3SO2)2NPh

MDL Number

MFCD00000404

FAQ

What is 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7)?

1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7) is an organic compound containing fluorine atoms, a phenyl group, and a sulfonyl moiety. It is characterized by its high fluorine content and is commonly used in chemical research and synthesis. Its chemical formula is C8H6F9NO3S, and it exhibits moderate solubility in polar solvents.

What are the main uses of 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7)?

This compound is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in agrochemicals and industrial chemistry, particularly in the development of fluorinated compounds. Its unique chemical structure makes it valuable in organic synthesis and functional group modifications.

Is 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7) safe?

1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7) is generally considered safe when handled properly. However, it should be treated with care due to potential irritant properties. Safety measures include using appropriate personal protective equipment (PPE) and following standard chemical handling protocols to ensure safe exposure and usage.

How should 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7) be stored?

To maintain stability and safety, 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 37595-74-7) should be stored in a cool, dry, and dark place. It is best kept in a sealed container at temperatures below 25°C to prevent degradation. Avoid exposure to moisture and direct sunlight to ensure optimal storage conditions.