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297712

Sigma-Aldrich

4-Bromo-3-(trifluoromethyl)aniline

98%

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About This Item

Linear Formula:
BrC6H3(CF3)NH2
CAS Number:
393-36-2
Molecular Weight:
240.02
EC Number:
206-885-1
MDL number:
MFCD00007827
UNSPSC Code:
12352100
PubChem Substance ID:
24857923
NACRES:
NA.22

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

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

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT2741
MKCL2470
MKCK3606
MKCB1723V
MKBX5085V

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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)

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