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Sigma-Aldrich

2-Nitro-4-(trifluoromethyl)phenol

99%

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About This Item

Linear Formula:
O2NC6H3(CF3)OH
CAS Number:
400-99-7
Molecular Weight:
207.11
EC Number:
206-927-9
MDL number:
MFCD00009791
UNSPSC Code:
12352100
PubChem Substance ID:
24854345
NACRES:
NA.22

assay

99%

form

liquid

refractive index

n20/D 1.504 (lit.)

bp

92-94 °C/12 mmHg (lit.)

density

1.473 g/mL at 25 °C (lit.)

SMILES string

Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F

InChI

1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H

InChI key

XZEDEVRSUANQEM-UHFFFAOYSA-N

General description

2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.

Application

2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Unexpected smiles rearrangement during borane reduction of 2-aryloxy-2-methylpropionamides.
Buchstaller H-P and Anlauf U.
Synthesis, 2005(4), 639-643 (2005)
The aqueous photolysis of TFM and related trifluoromethylphenols. An alternate source of trifluoroacetic acid in the environment.
Ellis DA and Mabury SA.
Environmental Science & Technology, 34(4), 632-637 (2000)

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