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249475

4-(Trifluoromethyl)benzoyl chloride

Name: 4-(Trifluoromethyl)benzoyl chloride
Brand: ALDRICH

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

Assay:

97%

Form:

liquid

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Properties

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

Description

General description

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

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

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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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)

Thermal Behavior of 19F Nuclear Magnetic Resonance Signal of 19F-Containing Compound in Lipid Nano-Emulsion for Potential Tumor Diagnosis.

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

Global Trade Item Number

SKU	GTIN
249475-5G	04061825928609
249475-25G	04061837376603
249475-1G	04061838347961