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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

193135-50G:
193135-VAR:
193135-BULK:
193135-10G:


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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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)
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)
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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