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Safety Information

196789

Sigma-Aldrich

2,3,5,6-Tetrafluorophenol

97%

Synonym(s):

1,2,4,5-Tetrafluoro-3-hydroxybenzene

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About This Item

Linear Formula:
HC6F4OH
CAS Number:
769-39-1
Molecular Weight:
166.07
EC Number:
212-209-6
MDL number:
MFCD00002157
UNSPSC Code:
12352100
PubChem Substance ID:
24851794
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

bp

140 °C (lit.)

mp

37-39 °C (lit.)

functional group

fluoro

SMILES string

Oc1c(F)c(F)cc(F)c1F

InChI

1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChI key

PBYIIRLNRCVTMQ-UHFFFAOYSA-N

Application

2,3,5,6-Tetrafluorophenol was used in preparation of :
  • radioiodinated phenylalanine derivative which is useful in peptide synthesis
  • technetium-99m labeled antibodies

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

196789-5G:
196789-25G:
196789-BULK:
196789-100G:
196789-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0204
MKCS5003
MKCQ5444
MKCQ2947
MKCP7743

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K Detmer et al.
The Journal of biological chemistry, 260(10), 5998-6005 (1985-05-25)
The oxidative half-reaction of phenol hydroxylase has been studied by stopped-flow spectrophotometry. Three flavin-oxygen intermediates can be detected when the substrate is thiophenol, or m-NH2, m-OH, m-CH3, m-Cl, or p-OH phenol. Intermediate I, the flavin C(4a)-hydroperoxide, has an absorbance maximum
A R Fritzberg et al.
Proceedings of the National Academy of Sciences of the United States of America, 85(11), 4025-4029 (1988-06-01)
Technetium-99m labeling of antibodies has been suboptimal because of low affinity adventitious binding, nonspecific labeling, and loss of immunoreactivity. The diamide dithiolate ligand system (N2S2) forms highly stable, well-defined tetradentate complexes with Tc(V). Antibodies and their fragments have been labeled
D S Wilbur et al.
Bioconjugate chemistry, 4(6), 574-580 (1993-11-01)
An investigation to prepare a phenylalanine derivative which could be radioiodinated and used directly in peptide synthesis was conducted. N-Boc-p-(tri-n-butylstannyl)-L-phenylalanine tetrafluorophenyl ester was targeted and synthesized from N-Boc-p-iodo-L-phenylalanine. The requisite aryl stannylation reaction was found to be best conducted using
C den Besten et al.
Chemical research in toxicology, 6(5), 674-680 (1993-09-01)
In the present study the oxidative dehalogenation of a para-halogenated phenol was studied using pentafluorophenol and its non-para-halogenated analogue 2,3,5,6-tetrafluorophenol as model compounds. 19F NMR was used to characterize the metabolite patterns. In order to study the primary oxidation products
G A Eiceman et al.
Journal of the American Society for Mass Spectrometry, 10(11), 1157-1165 (2001-09-07)
Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ion associations or (M-H)- through proton abstractions. Proton abstraction was
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