Structure

N,N-Bis(trifluoromethylsulfonyl)aniline

CAS
37595-74-7
Catalog Number
ACM37595747
Category
Other Products
Molecular Weight
357.25
Molecular Formula
C8H5F6NO4S2

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Specification

Synonyms
phenyltrifluoromethanesulfonimide;1,1,1-TRIFLUORO-N-PHENYL-N-[(TRIFLUOROMETHYL)SULFONYL]METHANESULFONAMIDE;N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE);N-PHENYLBIS(TRIFLUOROMETHANESULPHONIMIDE);N-PHENYLTRIFLUOROMETHANESULFONIMIDE;N-PHENYLTRIFLUOROMETHANESULPHONIMIDE;N,N-BIS(TRIFLUOROMETHYLSULFONYL)ANILINE;PHENYL TRIFLIMIDE
Melting Point
100-102°C(lit.)
Hazard Statements
Xi
Safety Description
26-36
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
What is the molecular formula of N,N-Bis(trifluoromethylsulfonyl)aniline?

The molecular formula is C8H5F6NO4S2.

What is the molecular weight of N,N-Bis(trifluoromethylsulfonyl)aniline?

The molecular weight is 357.3 g/mol.

What is the IUPAC name of N,N-Bis(trifluoromethylsulfonyl)aniline?

The IUPAC name is 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

What is the InChIKey of N,N-Bis(trifluoromethylsulfonyl)aniline?

The InChIKey is DIOHEXPTUTVCNX-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does N,N-Bis(trifluoromethylsulfonyl)aniline have?

It has 11 hydrogen bond acceptor counts.

What is the topological polar surface area of N,N-Bis(trifluoromethylsulfonyl)aniline?

The topological polar surface area is 88.3 Ų.

What is the heavy atom count of N,N-Bis(trifluoromethylsulfonyl)aniline?

The heavy atom count is 21.

How many rotatable bond counts does N,N-Bis(trifluoromethylsulfonyl)aniline have?

It has 3 rotatable bond counts.

What is the exact mass of N,N-Bis(trifluoromethylsulfonyl)aniline?

The exact mass is 356.95641896 g/mol.

When was N,N-Bis(trifluoromethylsulfonyl)aniline created and last modified in the database?

It was created on 2005-03-26 and last modified on 2023-12-30.

Downstream Synthesis Route 1

  • 37595-74-7
  • 62-53-3
  • 456-64-4

Reference: [1]Tetrahedron Letters,1973,p. 4607 - 4610

Downstream Synthesis Route 2

  • 37595-74-7
  • 61995-20-8
  • 149108-73-6

Reference: [1]Tetrahedron Letters,1993,vol. 34,p. 2235 - 2238
[2]Heterocycles,1994,vol. 37,p. 1761 - 1772

Downstream Synthesis Route 3

  • 37595-74-7
  • 38923-57-8
  • 143225-17-6

Reference: [1]Patent: WO2013/185103,2013,A1 .Location in patent: Page/Page column 101

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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