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Key Documents

193135

Sigma-Aldrich

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:
Molecular Weight:
229.12
Beilstein:
654318
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

SMILES string

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

InChI

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

InChI key

CDIDGWDGQGVCIB-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

208.4 °F - closed cup

Flash Point(C)

98 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Derivatives of o-, m-and p-Aminobenzotrifluoride1.
Maginnity PM and Gaulin CA.
Journal of the American Chemical Society, 73(8), 3579-3580 (1951)
Titanium-catalyzed intermolecular hydroamination of vinylarenes.
Ludwig T Kaspar et al.
Angewandte Chemie (International ed. in English), 44(37), 5972-5974 (2005-08-13)
Acid-free, organocatalytic acetalization.
Kotke M and Schreiner PR.
Tetrahedron, 62(2), 434-439 (2006)
Soumya Mukherjee et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 24(45), 11771-11778 (2018-05-29)
Fluorous organic building blocks were utilized to develop two self-assembled, hydrophobic, fluorinated porous organic polymers (FPOPs), namely, FPOP-100 and FPOP-101. Comprehensive mechanical analyses of these functionalised triazine network polymers marked the introduction of mechanical stiffness among all porous organic network

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