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| CAS No.: | 37595-74-7 |
|---|---|
| Name: | N-Phenyl-bis(trifluoromethanesulfonimide) |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5F6NO4S2 |
| Molecular Weight: | 357.254 |
| Synonyms: | 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide;N-Phenyl-N-[(trifluoromethyl)sulfonyl]trifluoromethanesulfonamide;N-Phenylbis(trifluoromethanesulfonimide);N-Phenyltriflimide;N-Phenyltrifluoromethylsulfonimide;Phenyl triflimide;Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide;N-Phenylbis(trifluoromethanesulphonimide); |
| EINECS: | 609-445-0 |
| Density: | 1.766 g/cm3 |
| Melting Point: | 100-102 °C |
| Boiling Point: | 305.3 °C at 760 mmHg |
| Flash Point: | 138.4 °C |
| Solubility: | solubile in methanol |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 88.28000 |
| LogP: | 4.35380 |
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- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- 358-23-6
trifluoromethylsulfonic anhydride
- 62-53-3
aniline
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| Stage #1: trifluoromethylsulfonic anhydride; aniline With 1,4-diaza-bicyclo[2.2.2]octane In acetonitrile at 40℃; under 600.06 - 1725.17 Torr; for 8h; Sealed tube; Large scale; Stage #2: With dmap In dichloromethane; acetonitrile under 450.045 - 1575.16 Torr; for 15h; Sealed tube; Large scale; | 94% |
| With triethylamine In dichloromethane at 25℃; for 16h; Inert atmosphere; Industry scale; Cooling with ice; | 86% |
| With triethylamine In dichloromethane at 20℃; Cooling with ice; | 86% |
- 82113-65-3
bis(trifluoromethanesulfonyl)amide
- 71-43-2
benzene
A
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| at 120℃; Glovebox; | A 7%Spectr. B 93% |
- 335-05-7
Trifluoromethanesulfonyl fluoride
- 62-53-3
aniline
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| Stage #1: Trifluoromethanesulfonyl fluoride; aniline With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 60℃; under 675.068 Torr; for 8h; Sealed tube; Large scale; Stage #2: With dmap In toluene at 60℃; under 750.075 - 1950.2 Torr; for 10h; Pressure; Solvent; Sealed tube; Large scale; | 92.1% |
| With dmap; potassium carbonate In dichloromethane at -40 - 0℃; under 150.015 - 750.075 Torr; for 12h; Reagent/catalyst; | 90.7% |
- 421-83-0
trifluoromethane sulfonyl chloride
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | 60% |
| In tetrahydrofuran | 60% |
- 358-23-6
trifluoromethylsulfonic anhydride
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| In freon 113=1,1,2-trichloro-trifluoroethane at 95°C; | 34% |
| In 1,1,2-Trichloro-1,2,2-trifluoroethane |
- 369-57-3
benzenediazonium tetrafluoroborate
- 174899-83-3
1-butyl-3-methylimidazolium trifluoromethanesulfonimide
B
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| With [Bmim][Br] at 24.84℃; for 24h; Kinetics; | |
| at 24.84℃; for 24h; Kinetics; |
- 369-57-3
benzenediazonium tetrafluoroborate
- 174899-83-3
1-butyl-3-methylimidazolium trifluoromethanesulfonimide
B
- 462-06-6
fluorobenzene
C
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| at 90℃; for 0.216667h; |
- 1025373-45-8
trifluoromethanesulfonic acid anhydride
- 62-53-3
aniline
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at -78 - 20℃; Inert atmosphere; |
- 421-83-0
trifluoromethane sulfonyl chloride
- 62-53-3
aniline
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 2h; |
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
- 38923-57-8
methyl 2,2-dimethyl-3-oxobutanoate
- 143225-17-6
methyl 2,2-dimethyl-3-0-(trifluoromethanesulfonate)-but-3-enoate
| Conditions | Yield |
|---|---|
| Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.25h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran; hexane at -78℃; for 1.25h; Inert atmosphere; | 100% |
| Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -20℃; for 0.166667h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide at -10℃; for 2h; | 87% |
| With lithium diisopropyl amide In tetrahydrofuran -78 deg C to RT; | |
| Stage #1: methyl 2,2-dimethyl-3-oxobutanoate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.258333h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran; hexane Inert atmosphere; |
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Chemistry
Product Name: N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7)
Molecular Formula: C8H5F6NO4S2
Molecular Weight: 357.25g/mol
Mol File: 37595-74-7.mol
Appearance: white to off-white crystalline powder
Melting Point: 100-102 °C
Boiling point: 305.3 °C at 760 mmHg
Flash Point: 138.4 °C
Density: 1.766 g/cm3
Surface Tension: 44.6 dyne/cm
Enthalpy of Vaporization: 54.57 kJ/mol
Vapour Pressure: .000828 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 11
Structure Descriptors of N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7):
IUPAC Name: 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Canonical SMILES: 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
Product Categories: API intermediates
Safety Profile
Safety Information of N-Phenylbis(trifluoromethanesulphonimide) (CAS NO.37595-74-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 21
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
N-Phenylbis(trifluoromethanesulphonimide) , its CAS NO. is 37595-74-7, the synonyms are 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide ; N,N-Bis(trifluoromethylsulfonyl)aniline .
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