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Merck
CN

249475

4-(Trifluoromethyl)benzoyl chloride

97%

Synonym(s):

α,α,α-Trifluoro-p-toluoyl chloride

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About This Item

Linear Formula:
CF3C6H4COCl
CAS Number:
329-15-7
Molecular Weight:
208.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854997
EC Number:
206-342-9
Beilstein/REAXYS Number:
391282
MDL number:
MFCD00000694

Key Documents

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Product Name

4-(Trifluoromethyl)benzoyl chloride, 97%

InChI key

OXZYBOLWRXENKT-UHFFFAOYSA-N

InChI

1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

SMILES string

FC(F)(F)c1ccc(cc1)C(Cl)=O

assay

97%

form

liquid

refractive index

n20/D 1.476 (lit.)

bp

188-190 °C (lit.)
78-79 °C/16 mmHg (lit.)

density

1.404 g/mL at 25 °C (lit.)

functional group

acyl chloride
fluoro

Quality Level

100

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General description

4-(Trifluoromethyl)benzoyl chloride undergoes microwave-promoted Suzuki-type coupling reaction with phenylboronic acid to yield 4-(trifluoromethyl)benzophenone.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

172.4 °F - closed cup

flash_point_c

78 °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
MKCR4376
MKCS6200
MKCP2716
MKCJ2638
MKBX1127V

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Microwave-promoted cross-coupling of acid chlorides with arylboronic acids: a convenient method for preparing aromatic ketones.
Polackova V, et al.
Tetrahedron, 62(50), 11675-11678 (2006)
Risa Iima et al.
AAPS PharmSciTech, 19(6), 2679-2686 (2018-06-27)
We developed carriers of a 19F magnetic resonance imaging (19F MRI) agent, capable of responding to the temperature difference for cancer diagnosis. The carriers were based on high melting point (mp) neutral lipids, namely, tripalmitin (TPT) and tristearin (TSR) and

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