1,1,1-Trifluoro-N-phenylmethanesulfonamide

Basic Information

View in Editor

CAS Number

456-64-4

Molecular Formula

C7H6F3NO2S

Molecular Weight

225.19 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

65.0 to 69.0 deg-C

Boiling Point

233.5°C at 760 mmHg

Flash Point

95.0±30.1 ºC,

SMILES

View in Editor

C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H

InChIKey

OXDSKEQSEGDAFN-UHFFFAOYSA-N

LogP

1.9481

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

274

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BB 0304059
DS-8107
N-Phenyl(trifluoromethane)sulfonamide
NS00134136
N-phenyltrifluoromethane sulfonamide
n-phenyltrifluoromethane sulphonamide
Methanesulfonamide, 1,1,1-trifluoro-N-phenyl-
PhNHTf
4-12-00-01061 (Beilstein Handbook Reference)
HMS1784H08
T2985
Methanesulfonamide, N-phenyl-1,1,1-trifluoro-
C,C,C-trifluoro-N-phenylmethanesulfonamide
N-phenyl trifluoromethanesulfonamide
MFCD00521820
N-Phenyltrifluoromethane-sulfonamide
N-Phenyltrifluoromethanesulfonamide
Phenyltriflamide
N-phenyltrifluoro-methanesulfonamide
EN300-117227
DTXSID20196570
Trifluoromethanesulfonanilide
SY027422
N-Phenyltriflamide
SCHEMBL216185
CHEMBL286402
N-[(Trifluoromethyl)sulfonyl]aniline
AM80898
N-phenyl(trifluoromethanesulfonamide)
456-64-4
phenyl triflamide

MDL Number

MFCD00521820

FAQ

What regulatory guidelines apply to 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4)?

1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) is subject to the European Union's REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency. It is also regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes health hazards, flammability, and environmental hazards. Additionally, it is regulated by the U.S. FDA and EPA for specific applications and disposal methods.

Are there alternatives to 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) in synthesis?

There are several alternatives to 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) in synthesis, such as trifluoromethylbenzenesulfonamide, trifluoromethylbenzene, and other sulfonamides. These alternatives can be used based on the specific requirements of the synthesis process, such as reactivity, solubility, and cost.

What is the market or research trend for 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4)?

1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) is gaining attention in research fields such as medicinal chemistry and organic synthesis. Market trends indicate increasing demand for its use in developing new pharmaceuticals and intermediates. Research is focusing on exploring its potential in various applications, including as a protective group in organic synthesis.

How should waste containing 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) be handled?

Waste containing 1,1,1-Trifluoro-N-phenylmethanesulfonamide (CAS: 456-64-4) should be collected in appropriate containers and stored in a well-ventilated area. It should then be disposed of through professional waste disposal services that comply with local and international regulations. Proper precautions include wearing personal protective equipment and ensuring proper labeling of waste containers to prevent accidental exposure or contamination.