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Merck
CN

365815

4-(Trifluoromethyl)benzyl chloride

98%

Synonym(s):

α′-Chloro-α,α,α-trifluoro-p-xylene

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About This Item

Linear Formula:
CF3C6H4CH2Cl
CAS Number:
939-99-1
Molecular Weight:
194.58
NACRES:
NA.22
PubChem Substance ID:
24862581
UNSPSC Code:
12352100
MDL number:
MFCD00040772
Assay:
98%
Form:
liquid

Key Documents

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InChI

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

SMILES string

FC(F)(F)c1ccc(CCl)cc1

InChI key

MCHDHQVROPEJJT-UHFFFAOYSA-N

assay

98%

form

liquid

refractive index

n20/D 1.464 (lit.)

bp

68 °C/12 mmHg (lit.)

density

1.315 g/mL at 25 °C (lit.)

functional group

chloro, fluoro

General description

Electrochemical reduction of 4-(trifluoromethyl)benzyl chloride catalyzed by Co(salen) (H2salen, N,N′-bis(salicylidene)-ethane-1,2-diamine) in acetonitrile is reported.

Application

4-(Trifluoromethyl)benzyl chloride may be used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H314,H335

Hazard Classifications

Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

165.2 °F - closed cup

flash_point_c

74 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ7396
MKCJ3901
MKCG9215
MKCD7161
MKCB4202

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Nicholas R Oranzi et al.
Analytical chemistry, 91(6), 4092-4099 (2019-02-27)
Quantitation of the serum concentration of 25-hydroxyvitamin D is a high-demand assay that suffers from long chromatography time to separate 25-hydroxyvitamin D from its inactive epimer; however, ion mobility spectrometry can distinguish the epimer pair in under 30 ms due
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
Mechanism of the electrochemical reduction of benzyl chlorides catalysed by Co (salen).
Isse AA, et al.
Journal of Electroanalytical Chemistry, 444(2), 241-245 (1992)

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