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2613-27-6

2613-27-6 Structure

2613-27-6 Structure
IdentificationMore
[Name]

4-NITROPHENYLSULFUR PENTAFLUORIDE
[CAS]

2613-27-6
[Synonyms]

1-NITRO-4-(PENTAFLUOROSULFANYL)BENZENE
4-NITROBENZENESULFURPENTAFLUORIDE
4-NITROPHENYLSULFUR PENTAFLUORIDE
4-NITROPHENYLSULPHUR PENTAFLUORIDE
4-(PENTAFLUOROSULFUR)-NITROBENZENE
BUTTPARK 19\10-04
SULFUR, PENTAFLUORO(4-NITROPHENYL)-
4-Nitrobenzenesulphur pentafluoride
4-Nitrophenylsufur Pentafluroride
[EINECS(EC#)]

447-610-7
[Molecular Formula]

C6H4F5NO2S
[MDL Number]

MFCD00221619
[Molecular Weight]

249.16
[MOL File]

2613-27-6.mol
Chemical PropertiesBack Directory
[Melting point ]

38 °C
[Boiling point ]

76-77°C 12mm
[refractive index ]

1.4729
[Fp ]

76-77°C/12mm
[storage temp. ]

2-8°C, stored under nitrogen
[solubility ]

Soluble in acetonitrile
[Water Solubility ]

Insoluble in water
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Yellow
[BRN ]

1986023
[Henry's Law Constant]

1.6×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[InChI]

InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H
[InChIKey]

AGNCKMHGYZKMLN-UHFFFAOYSA-N
[SMILES]

C1(=CC=C([N+]([O-])=O)C=C1)S(F)(F)(F)(F)F
[CAS DataBase Reference]

2613-27-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319-H301-H311-H331
[Precautionary statements ]

P301+P310a-P305+P351+P338-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

Xi,T
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3261
[Hazard Note ]

Toxic/Irritant
[TSCA ]

No
[REACH Registrations]

Inactive
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2929900090
Hazard InformationBack Directory
[Uses]

4-Nitrophenylsulfur Pentafluoride is a halogenated heterocyclic compound that can be used in oxidative fluorination reactions of fluorine, organic synthesis (e.g., synthesis of 4-aminophenylsulfur pentafluoride and fluorine-containing indole analogues).
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROPHENYLSULFUR PENTAFLUORIDE(2613-27-6)1HNMR
4-NITROPHENYLSULFUR PENTAFLUORIDE(2613-27-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Nitrophenylsulfur pentafluoride, 97%(2613-27-6)
[TCI AMERICA]

4-Nitrophenylsulfur Pentafluoride,>95.0%(GC)(2613-27-6)
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