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263362

3′,5′-Bis(trifluoromethyl)acetophenone

Name: 3′,5′-Bis(trifluoromethyl)acetophenone
Brand: ALDRICH

98%

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About This Item

Linear Formula:

(CF₃)₂C₆H₃COCH₃

CAS Number:

30071-93-3

Molecular Weight:

256.14

NACRES:

NA.22

PubChem Substance ID:

24855965

UNSPSC Code:

12352100

EC Number:

250-023-7

MDL number:

MFCD00009910

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.4221 (lit.)

density

1.422 g/mL at 25 °C (lit.)

functional group

fluoro, ketone

SMILES string

CC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3

InChI key

MCYCSIKSZLARBD-UHFFFAOYSA-N

Description

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Inhibition of monoamine oxidase-B by 5H-indeno[1,2-c]pyridazines: biological activities, quantitative structure-activity relationships (QSARs) and 3D-QSARs.

S Kneubühler et al.

Journal of medicinal chemistry, 38(19), 3874-3883 (1995-09-15)

A large series (66 compounds) of indeno[1,2-c]pyridazin-5-ones (IPs) were synthesized and tested on their monoamine oxidase-A (MAO-A) and MAO-B inhibitory activity. All of the tested compounds acted preferentially on MAO-B displaying weak (nonmeasurable IC50 values) to high (submicromolar IC50 values)

Asymmetric biocatalytic reduction of 3,5-bis(trifluoromethyl) acetophenone to (1R)-[3,5-bis(trifluoromethyl)phenyl] ethanol using whole cells of newly isolated Leifsonia xyli HS0904.

Pu Wang et al.

Applied microbiology and biotechnology, 90(6), 1897-1904 (2011-05-27)

A novel bacterial strain HS0904 was isolated from a soil sample using 3,5-bis(trifluoromethyl) acetophenone as the sole carbon source. This bacterial isolate can asymmetrically reduce 3,5-bis(trifluoromethyl) acetophenone to (1R)-[3,5-bis(trifluoromethyl)phenyl] ethanol with high enantiometric excess (ee) value. Based on its morphological

Rhodium-catalyzed heterogeneous enantioselective hydrogenation of 3, 5-di-(trifluoromethyl)-acetophenone.

Hess R, et al.

J. Mol. Catal. A: Chem., 212(1), 205-209 (2004)

Global Trade Item Number

SKU	GTIN
263362-5G	04061826122426