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345725

Sigma-Aldrich

2,3,6-Trifluorophenol

98%

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About This Item

Linear Formula:
F3C6H2OH
CAS Number:
113798-74-6
Molecular Weight:
148.08
MDL number:
MFCD00061214
UNSPSC Code:
12352100
PubChem Substance ID:
24861345
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

33-37 °C (lit.)

SMILES string

Oc1c(F)ccc(F)c1F

InChI

1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

InChI key

QSFGUSFDWCVXNR-UHFFFAOYSA-N

General description

2,3,6-Trifluorophenol is a fluorinated phenol. Biotransformation of 2,3,6-trifluorophenol has been studied by 19FNMR technique.

Application

2,3,6-Trifluorophenol may be employed as model compound to investigate the site-selective functionalization of halogen-bearing phenols by organometallic approach.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

147.2 °F - closed cup

Flash Point(C)

64 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ3122
MKCN7908
MKCJ6840
MKCH7602
MKCH7586

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The site-selective functionalization of halogen-bearing phenols: an exercise in diversity-oriented organometallic synthesis.
Marzi E and Schlosser M.
Tetrahedron, 61(13), 3393-3401 (2005)
M G Boersma et al.
Journal of industrial microbiology & biotechnology, 26(1-2), 22-34 (2001-09-11)
Of all NMR-observable isotopes 19F is the one most convenient for studies on the biodegradation of environmental pollutants and especially for fast initial metabolic screening of newly isolated organisms. In the past decade we have identified the 19F NMR characteristics

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