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167703

Sigma-Aldrich

3-(Trifluoromethyl)benzyl chloride

97%

Synonym(s):

α′-Chloro-α,α,α-trifluoro-m-xylene, 3-(Chloromethyl)benzotrifluoride

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About This Item

Linear Formula:
CF3C6H4CH2Cl
CAS Number:
705-29-3
Molecular Weight:
194.58
Beilstein:
743242
EC Number:
211-884-4
MDL number:
MFCD00000908
UNSPSC Code:
12352100
PubChem Substance ID:
24850221
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.464 (lit.)

density

1.254 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1cccc(CCl)c1

InChI

1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChI key

XGASTRVQNVVYIZ-UHFFFAOYSA-N

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General description

3-(Trifluoromethyl)benzyl chloride reacts with sodium salts of N,N-disubstituted dithiocarbamic acids to yield series of dithiocarbamates.

Application

3-(Trifluoromethyl)benzyl chloride was used in the synthesis of 4-nitro-3-trifluoromethyl-[N-(4-hydroxyphenyl)]benzamide.

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

Flam. Liq. 3 - Skin Corr. 1B

WGK

WGK 3

Flash Point(F)

118.4 °F

Flash Point(C)

48 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Synthesis of poly (arylene ether amide) s containing CF 3 groups by nitro displacement reaction of AB-type monomers.
Lee HS and Kim SY.
Macromolecular Rapid Communications, 23(12), 665-671 (2002)
Mehlika D Altıntop et al.
Archiv der Pharmazie, 346(8), 571-576 (2013-07-25)
In the present paper, a novel series of dithiocarbamates was synthesized via the treatment of 4-(trifluoromethyl)benzyl chloride with appropriate sodium salts of N,N-disubstituted dithiocarbamic acids. The chemical structures of the compounds were elucidated by (1) H NMR, mass spectral data
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 14-33 (2008-12-25)
Distributed Drug Discovery (D(3)) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D(3) is the global rehearsal of prospective reagents and
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 34-43 (2008-12-25)
For the successful implementation of Distributed Drug Discovery (D(3)) (outlined in the accompanying Perspective), students, in the course of their educational laboratories, must be able to reproducibly make new, high quality, molecules with potential for biological activity. This article reports

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