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Merck
CN

193135

3,5-Bis(trifluoromethyl)aniline

97%

Synonym(s):

α,α,α,α′,α′,α′-Hexafluoro-3,5-xylidine, 5-Amino-α,α,α,α′,α′,α′-hexafluoro-m-xylene

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About This Item

Linear Formula:
(CF3)2C6H3NH2
CAS Number:
328-74-5
Molecular Weight:
229.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851584
EC Number:
206-335-0
Beilstein/REAXYS Number:
654318
MDL number:
MFCD00000394
Assay:
97%
Form:
liquid

Key Documents

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InChI key

CDIDGWDGQGVCIB-UHFFFAOYSA-N

InChI

1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2

SMILES string

Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

assay

97%

form

liquid

refractive index

n20/D 1.434 (lit.)

bp

85 °C/15 mmHg (lit.)

density

1.467 g/mL at 25 °C (lit.)

functional group

fluoro

Quality Level

100

Application

3,5-Bis(trifluoromethyl)aniline was used in the synthesis of:
  • N-[2-hydroxy-1-naphthylidene]-3, 5-bis(trifluoromethyl)aniline, Schiff′s base
  • 5,7-bis(trifluoromethyl)aniline
  • N-1-phenylethyl-3,5-bis(trifluoromethyl)aniline via titanium-catalyzed hydroamination reaction
  • N,N′-bis[3,5-bis(tri-fluoromethyl)phenyl]thiourea, organocatalyst

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

flash_point_f

208.4 °F - closed cup

flash_point_c

98 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ8677
BCCK6160
BCCH5492
BCCG8107
BCCF2015

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Titanium-catalyzed intermolecular hydroamination of vinylarenes.
Ludwig T Kaspar et al.
Angewandte Chemie (International ed. in English), 44(37), 5972-5974 (2005-08-13)
Derivatives of o-, m-and p-Aminobenzotrifluoride1.
Maginnity PM and Gaulin CA.
Journal of the American Chemical Society, 73(8), 3579-3580 (1951)
Spectroscopic studies, antimicrobial activities, and crystal structure of N-[2-hydroxy-1-naphthylidene] 3, 5-bis (trifluoromethyl) aniline.
Unver H, et al.
Journal of Chemical Crystallography, 36(3), 229-237 (2006)
Acid-free, organocatalytic acetalization.
Kotke M and Schreiner PR.
Tetrahedron, 62(2), 434-439 (2006)
Chao Wu et al.
Advanced materials (Deerfield Beach, Fla.), 32(21), e2000499-e2000499 (2020-04-07)
Flexible dielectrics operable under simultaneous electric and thermal extremes are critical to advanced electronics for ultrahigh densities and/or harsh conditions. However, conventional high-performance polymer dielectrics generally have conjugated aromatic backbones, leading to limited bandgaps and hence high conduction loss and
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