4-NITROPHENYL TRIFLUOROACETATE Chemical Properties

Melting point:

35-39 °C (lit.)

Boiling point:

120 °C/12 mmHg (lit.)

Density 

1.5675 (estimate)

Flash point:

>230 °F

storage temp. 

Inert atmosphere,Room Temperature

solubility 

almost transparency in Methanol

form 

powder to lump to clear liquid

color 

White or Colorless to Yellow

BRN 

658785

Major Application

peptide synthesis

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 Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26

RIDADR 

2811

WGK Germany 

3

F 

21

Hazard Note 

Harmful/Irritant/Keep Cold

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

III

HS Code 

29159000

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-NITROPHENYL TRIFLUOROACETATE Usage And Synthesis

Chemical Properties

Beige crystalline

Uses

4-Nitrophenyl Trifluoroacetate is used as a 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.

4-NITROPHENYL TRIFLUOROACETATE(658-78-6)Related Product Information

• METHYL DIFLUOROACETATE
• 2,2,2-Trifluoroethanol
• Methyl fluoroacetate
• Difluoroacetic acid
• Methyl trifluoroacetate
• 4-Nitrophenyl formate
• AMMONIUM TRIFLUOROACETATE
• Phenetidine
• 2,2,2-TRIFLUOROETHYL METHYL ETHER
• PHENYL TRIFLUOROACETATE
• 4-NITROPHENYL ACETATE
• 4-Nitrosophenol
• 2-Fluoroethanol
• 4-NITROPHENETOLE
• Trifluoroacetic acid
• 4-NITROPHENYL TRIFLUOROACETATE
• Fluoroacetic acid
• PHENYL ACETATE