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337056

4-(Trifluoromethoxy)aniline

Name: 4-(Trifluoromethoxy)aniline
Brand: ALDRICH

98%

Synonym(s):

α,α,α-Trifluoro-p-anisidine

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About This Item

Linear Formula:

CF₃OC₆H₄NH₂

CAS Number:

461-82-5

Molecular Weight:

177.12

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24860453

EC Number:

207-317-5

Beilstein/REAXYS Number:

2090209

MDL number:

MFCD00041314

Assay:

98%

Form:

liquid

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Properties

Quality Level

200

assay

98%

form

liquid

refractive index

n20/D 1.463 (lit.)

bp

73-75 °C/10 mmHg (lit.)

density

1.32 g/mL at 20 °C (lit.)

functional group

fluoro

SMILES string

Nc1ccc(OC(F)(F)F)cc1

InChI

1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

InChI key

XUJFOSLZQITUOI-UHFFFAOYSA-N

Description

Application

4-(Trifluoromethoxy)aniline was used in the synthesis of:

side-group liquid-crystalline polymethacrylates with fluorine-containing mesogens
derivatives of 3-(quinolin-3-yl)acrylates
series of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves

pictograms

GHS06,GHS08,GHS05

signalword

Danger

hcodes

H301,H310,H315,H318,H373

pcodes

P262 - P280 - P301 + P310 + P330 - P302 + P352 + P310 - P305 + P351 + P338 + P310 - P314

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT RE 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

177.8 °F - closed cup

flash_point_c

81 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Addition of Me3SiCN to trifluoromethyl derivates of N-(pyridylmethylidene) anilines catalyzed by Lewis acids.

Iovel I, et al.

Applied Organometallic Chemistry, 15(9), 733-743 (2001)

Microwave-assisted multistep synthesis of functionalized 4-arylquinolin-2 (1 H)-ones using palladium-catalyzed cross-coupling chemistry.

Glasnov TN, et al.

The Journal of Organic Chemistry, 70(10), 3865-3870 (2005)

The metabolism of 4-trifluoromethoxyaniline and [13C]-4-trifluoromethoxyacetanilide in the rat: detection and identification of metabolites excreted in the urine by NMR and HPLC-NMR.

M Tugnait et al.

Journal of pharmaceutical and biomedical analysis, 28(5), 875-885 (2002-06-01)

A combination of 19F, 1H NMR and HPLC-NMR spectroscopic approaches have been used to quantify and identify the urinary-excreted metabolites of 4-trifluoromethoxyaniline (4-TFMeA) and its [13C]-labelled acetanilide following i.p. administration at 50 mg/kg to rats. The major metabolite excreted in

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Global Trade Item Number

SKU	GTIN
337056-25G	04061826743478
337056-5G	04061826743485