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465356

Sigma-Aldrich

4-(Trifluoromethoxy)anisole

98%

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About This Item

Linear Formula:
CF3OC6H4OCH3
CAS Number:
710-18-9
Molecular Weight:
192.14
MDL number:
MFCD00216942
UNSPSC Code:
12352100
PubChem Substance ID:
24870271
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.432 (lit.)

bp

164 °C (lit.)

density

1.266 g/mL at 25 °C (lit.)

SMILES string

COc1ccc(OC(F)(F)F)cc1

InChI

1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3

InChI key

NOAFZIOGGDPYKK-UHFFFAOYSA-N

General description

4-(Trifluoromethoxy)anisole can undergo metalation preferentially or exclusively at the methoxy-neighboring position.[1][2]

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

136.4 °F - closed cup

Flash Point(C)

58 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT9859
MKBW9485V
MKBR4679V
MKBG0532V
03305PQ

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Frédéric R Leroux et al.
Beilstein journal of organic chemistry, 4, 13-13 (2008-10-23)
After nitrogen, fluorine is probably the next most favorite hetero-atom for incorporation into small molecules in life science-oriented research. This review focuses on a particular fluorinated substituent, the trifluoromethoxy group, which is finding increased utility as a substituent in bioactives
α-Fluorinated ethers, thioethers, and amines: Anomerically biased species.
Leroux F, et al.
Chemical Reviews, 105(3), 827-856 (2005)
F Aladar Bencsath et al.
Analytical and bioanalytical chemistry, 407(14), 4079-4090 (2015-03-23)
A headspace solid-phase microextraction gas chromatography-mass spectrometry (SPME GC-MS) method is described, to screen seafood for volatile organic compounds (VOCs) associated with petrochemical taint. VOCs are extracted from the headspace of heated sample homogenates by adsorption onto a SPME fiber

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