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Sigma-Aldrich

3′,5′-Bis(trifluoromethyl)acetophenone

98%

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About This Item

Linear Formula:
(CF3)2C6H3COCH3
CAS Number:
30071-93-3
Molecular Weight:
256.14
EC Number:
250-023-7
MDL number:
MFCD00009910
UNSPSC Code:
12352100
PubChem Substance ID:
24855965
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.4221 (lit.)

density

1.422 g/mL at 25 °C (lit.)

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

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)
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

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