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297712

4-Bromo-3-(trifluoromethyl)aniline

Name: 4-Bromo-3-(trifluoromethyl)aniline
Brand: ALDRICH

98%

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About This Item

Linear Formula:

BrC₆H₃(CF₃)NH₂

CAS Number:

393-36-2

Molecular Weight:

240.02

NACRES:

NA.22

PubChem Substance ID:

24857923

UNSPSC Code:

12352100

EC Number:

206-885-1

MDL number:

MFCD00007827

Assay:

98%

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Properties

assay

98%

bp

81-84 °C/0.5 mmHg (lit.)

mp

47-49 °C (lit.)

functional group

bromo, fluoro

SMILES string

Nc1ccc(Br)c(c1)C(F)(F)F

InChI

1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChI key

YGNISOAUPSJDJE-UHFFFAOYSA-N

Description

Application

4-Bromo-3-(trifluoromethyl)aniline has been used in the preparation of:

2,5-dibromo-(trifluoromethyl)benzene and 2-bromo-5-iodo-(trifluoromethyl)benzene
AUY954, an aminocarboxylate analog of FTY720, a low nanomolar, monoselective agonist of the sphingosine-1-phosphate receptor

pictograms

GHS06,GHS08,GHS09

signalword

Danger

hcodes

H301,H315,H317,H319,H373,H411

pcodes

P273 - P280 - P301 + P310 - P302 + P352 - P305 + P351 + P338 - P314

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B - STOT RE 2 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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A monoselective sphingosine-1-phosphate receptor-1 agonist prevents allograft rejection in a stringent rat heart transplantation model.

Shifeng Pan et al.

Chemistry & biology, 13(11), 1227-1234 (2006-11-23)

FTY720 is an immunomodulator with demonstrated efficacy in a phase II trial of relapsing multiple sclerosis. FTY720-phosphate, the active metabolite generated upon phosphorylation in vivo, acts as a potent agonist on four of the five known sphingosine-1-phosphate (S1P(1)) receptors. AUY954

Some Dihalo-(trifluoromethyl)-benzenes.

McBee ET, et al.

Journal of the American Chemical Society, 73(8), 3932-3934 (1951)

Global Trade Item Number

SKU	GTIN
297712-25G	04061832099330
297712-5G	04061832088921