Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

468517

Sigma-Aldrich

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

98%

Synonym(s):

1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
(CF3)2C6H3NCS
CAS Number:
23165-29-9
Molecular Weight:
271.18
MDL number:
MFCD00040838
UNSPSC Code:
12352100
PubChem Substance ID:
24870523
NACRES:
NA.22

Quality Level

100

assay

98%

refractive index

n20/D 1.5 (lit.)

bp

63 °C/1.5 mmHg (lit.)

density

1.485 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=S

InChI

1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChI key

FXOSSGVJGGNASE-UHFFFAOYSA-N

Related Categories

Application

3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:
  • Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
  • Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
  • Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
  • Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCT3429
0000236292
0000236291
MKCQ7667
MKCM3351

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Highly diastereo-and enantioselective direct aldol reactions promoted by water-compatible organocatalysts bearing a pyrrolidinyl-camphor structural scaffold.
Tzeng Z-H, et al.
Tetrahedron, 65(5), 2879-2888 (2009)
Paul M Dietrich et al.
Langmuir : the ACS journal of surfaces and colloids, 26(6), 3949-3954 (2010-01-01)
Amino-terminated self-assembled monolayers on gold substrates were studied by X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) measurements, and atomic force microscopy (AFM). Two different omega-amino-4,4'-terphenyl substituted alkanethiols of the general structure H(2)N-(C(6)H(4))(3)-(CH(2))(n)-SH (ATPn) were used: 2-(4''-amino-1,1':4',1''-terphenyl-4-yl)ethane-1-thiol (n
Marcus Frings et al.
Beilstein journal of organic chemistry, 8, 1443-1451 (2012-09-29)
For the first time, chiral sulfoximine derivatives have been applied as asymmetric organocatalysts. In combination with a thiourea-type backbone the sulfonimidoyl moiety leads to organocatalysts showing good reactivity in the catalytic desymmetrization of a cyclic meso-anhydride and moderate enantioselectivity in
Nora Graf et al.
Analytical and bioanalytical chemistry, 396(2), 725-738 (2009-11-06)
The determination of amino groups on surfaces capable of binding biomolecules is important for the understanding and optimization of technologically relevant coupling processes. In this study, three different types of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service