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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
Beilstein:
391282
EC Number:
206-342-9
MDL number:
MFCD00000694
UNSPSC Code:
12352100
PubChem Substance ID:
24854997
NACRES:
NA.22

Key Documents

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Quality Level

100

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

SMILES string

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

InChI

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

InChI key

OXZYBOLWRXENKT-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

172.4 °F - closed cup

Flash Point(C)

78 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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