ChemicalBook--->CAS DataBase List--->658-78-6

658-78-6

658-78-6 Structure

658-78-6 Structure
IdentificationMore
[Name]

4-NITROPHENYL TRIFLUOROACETATE
[CAS]

658-78-6
[Synonyms]

4-NITROPHENYL TRIFLUOROACETATE
NITROPHENYLTRIFLUOROACETATE(4-)
P-NITROPHENYL TRIFLUOROACETATE
SAKAKI BARA'S REAGENT
TRIFLUOROACETIC ACID 4-NITROPHENYL ESTER
Acetic acid, trifluoro-, p-nitrophenyl ester
Trifluoroacetic acid p-nitrophenyl ester
trifluoro-aceticaci4-nitrophenylester
4-Nitrophenyl trifluoroacetate 99%
4-Nitrophenyltrifluoroacetate99%
4-NITROPHENYL TRIFLUOROACETATE 97+%
[EINECS(EC#)]

211-524-6
[Molecular Formula]

C8H4F3NO4
[MDL Number]

MFCD00007324
[Molecular Weight]

235.12
[MOL File]

658-78-6.mol
Chemical PropertiesBack Directory
[Melting point ]

35-39 °C (lit.)
[Boiling point ]

120 °C/12 mmHg (lit.)
[density ]

1.5675 (estimate)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

almost transparency in Methanol
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Yellow
[BRN ]

658785
[InChI]

InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
[InChIKey]

JFOIBTLTZWOAIC-UHFFFAOYSA-N
[SMILES]

C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)C(F)(F)F
[CAS DataBase Reference]

658-78-6(CAS DataBase Reference)
[EPA Substance Registry System]

Acetic acid, trifluoro-, 4-nitrophenyl ester (658-78-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

3
[F ]

21
[Hazard Note ]

Harmful/Irritant/Keep Cold
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29159000
Hazard InformationBack Directory
[Chemical Properties]

Beige crystalline
[Uses]

Reagent for the preparation of 4-nitrophenyl active esters from acids
[Purification Methods]

Recrystallise the ester from CHCl3/hexane [Margolis et al. J Biol Chem 253 7891 1978]. It sublimes in vacuo (m 36-38o). It is moisture sensitive. [Sakakibara & Inukai Bull Chem Soc Jpn 37 1231 1964.]
[Precautions]

4-Nitrophenyl Trifluoroacetate is water sensitive; should be stored in a tightly closed bottle.
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROPHENYL TRIFLUOROACETATE(658-78-6)MS
4-NITROPHENYL TRIFLUOROACETATE(658-78-6)1HNMR
4-NITROPHENYL TRIFLUOROACETATE(658-78-6)IR1
4-NITROPHENYL TRIFLUOROACETATE(658-78-6)IR2
4-NITROPHENYL TRIFLUOROACETATE(658-78-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Nitrophenyl trifluoroacetate, 99%(658-78-6)
[Sigma Aldrich]

658-78-6(sigmaaldrich)
[TCI AMERICA]

4-Nitrophenyl Trifluoroacetate,>98.0%(GC)(658-78-6)
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