559423
4-Methyl-3-(trifluoromethyl)aniline
98%
Synonym(s):
3-(Trifluoromethyl)-4-methylaniline
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About This Item
Linear Formula:
CF3C6H3(CH3)NH2
CAS Number:
Molecular Weight:
175.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C8H8F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,12H2,1H3
SMILES string
Cc1ccc(N)cc1C(F)(F)F
InChI key
JBCDCYFEJQHTTA-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.490 (lit.)
bp
204 °C (lit.)
density
1.220 g/mL at 25 °C (lit.)
functional group
fluoro
Application
4-Methyl-3-(trifluoromethyl)aniline may be used as a starting reagent in the synthesis of tert-butyl 4-methyl-3-(trifluoromethyl)phenylcarbamate.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
215.1 °F - closed cup
flash_point_c
101.7 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Design, synthesis, and biological evaluation of 3-(1 H-1, 2, 3-triazol-1-yl) benzamide derivatives as potent pan Bcr-Abl inhibitors including the threonine315? isoleucine315 mutant.
Li Y, et al.
Journal of Medicinal Chemistry, 55(22), 10033-10046 (2012)
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