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About This Item
Linear Formula:
BrC6H3(CF3)NH2
CAS Number:
Molecular Weight:
240.02
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
bp
81-84 °C/0.5 mmHg (lit.)
mp
47-49 °C (lit.)
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 Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B - STOT RE 2 Oral
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Some Dihalo-(trifluoromethyl)-benzenes.
McBee ET, et al.
Journal of the American Chemical Society, 73(8), 3932-3934 (1951)
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
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