N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide

Basic Information

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CAS Number

145100-51-2

Molecular Formula

C7H3ClF6N2O4S2

Molecular Weight

392.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

45-47 °C

Boiling Point

358.3°C at 760 mmHg

Density

1.892 g/c3

Water Solubility

Reacts with water.

Flash Point

170.5 °C

Refractive Index

1.379

SMILES

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C1=CC(=NC=C1Cl)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H3ClF6N2O4S2/c8-4-1-2-5(15-3-4)16(21(17,18)6(9,10)11)22(19,20)7(12,13)14/h1-3H

InChIKey

TUFGVZMNGTYAQD-UHFFFAOYSA-N

LogP

2.2405999999999997

Topological Polar Surface Area

84.41 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

561

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 AIR SENSITIVE Class AIR SENSITIVE

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Class KEEP COLD Class KEEP COLD

Sensitiveness

Moisture Sensitive

Synonyms & References

English

CS-W009001
WS933U9U66
N-(5-Chloro-2-pyridyl)bis(trifluoromethanesulfonimide), 96%
N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl) sulfonyl]methanesulfonamide
n-(5-chloropyridin-2-yl)-1,1,1-trifluoro-n-[(trifluoromethyl)sulfonyl]methanesulfonamide
[N,N'-bis(trifluoromethylsulfonyl)amino]-5-chloropyridine
FT-0610888
N-(5-Chloro-2-pyridyl)triflimide
bis(trifluoromethylsulfonyl)-5-chloro-2-pyridylamine
A808319
Methanesulfonamide, N-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-
145100-51-2
2-(N,N-Bis(trifluoromethylsulfonyl)amino]-5-chloropyridine
EN300-7394471
DTXSID40327763
NSC683533
Comins' Reagent
Comins Triflating Reagent
2-[n,n-bis(trifluormethyl-sulfonyl)amino]-5-chloropyridine
MFCD00191833
AC-5150
AM20050816
Q5151993
2[N,N-bis(trifluoromethylsulfonyl)amino]-5-chloropyridine
1-(N,N-Bis(trifluoromethylsulfonyl)amino)-5-chloropyridine
N,N-Bis(trifluoromethylsulfonyl)-5-chloro-2-pyridylamine
N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
N-(5-Chloro-2-pyridyl)-N-(trifluoromethanesulfonyl)trifluoromethanesulfonamide
N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-methanesulfonamide
2-[N,N-Bis(trifluoromethylsulfonyl)amino]-5-chloropyridine

MDL Number

MFCD00191833

Customs Code

2935009090

FAQ

What regulatory guidelines apply to N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2)?

N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2) falls under the GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. Regulatory requirements include compliance with REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the EU, and FDA/EPA for safety and environmental protection. It is crucial to follow local and international regulations for safe handling and disposal.

Are there alternatives to N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide in synthesis (CAS: 145100-51-2)?

In the synthesis of N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2), alternatives may include related compounds with similar functional groups or substituents. Common substitutes can be identified through retrosynthetic analysis, selecting reagents like various acid chlorides, sulfonyl chlorides, or other fluorinated compounds. Always consider the reactivity and availability of the alternatives.

What is the market or research trend for N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2)?

The market for N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2) is driven by its use in specialized chemical synthesis, particularly in pharmaceuticals and fine chemicals. Research trends focus on optimizing synthesis methods, exploring new applications, and developing safer and more efficient production processes. The trend also includes analyzing the compound's role in drug discovery and development.

How should waste containing N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2) be handled?

Waste containing N-(5-Chloro-2-pyridinyl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (CAS: 145100-51-2) should be collected in leak-proof containers, labeled appropriately, and stored in a well-ventilated area. For disposal, it is recommended to use a professional waste disposal service that specializes in hazardous chemicals. Environmental protection measures include ensuring that disposal methods comply with local regulations to minimize ecological impact.