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345725

2,3,6-Trifluorophenol

98%

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About This Item

Linear Formula:
F3C6H2OH
CAS Number:
113798-74-6
Molecular Weight:
148.08
NACRES:
NA.22
PubChem Substance ID:
24861345
UNSPSC Code:
12352100
MDL number:
MFCD00061214
Assay:
98%
Form:
solid
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Quality Level

100

assay

98%

form

solid

mp

33-37 °C (lit.)

functional group

fluoro

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

signalword

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

4.1B - Flammable solid hazardous materials

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX7820
MKCQ3122
MKCN7908
MKCJ6840
MKCH7602

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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
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)
Matthew G Romei et al.
Science (New York, N.Y.), 367(6473), 76-79 (2020-01-04)
Rotation around a specific bond after photoexcitation is central to vision and emerging opportunities in optogenetics, super-resolution microscopy, and photoactive molecular devices. Competing roles for steric and electrostatic effects that govern bond-specific photoisomerization have been widely discussed, the latter originating

Global Trade Item Number

SKUGTIN
345725-5G04061826760840