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Merck
CN

368512

7-Hydroxy-4-(trifluoromethyl)coumarin

98%

Synonym(s):

4-(Trifluoromethyl)umbelliferone

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About This Item

Empirical Formula (Hill Notation):
C10H5F3O3
CAS Number:
575-03-1
Molecular Weight:
230.14
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
24862915
MDL number:
MFCD00037578
Beilstein/REAXYS Number:
210932

Key Documents

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InChI

1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H

SMILES string

Oc1ccc2c(OC(=O)C=C2C(F)(F)F)c1

InChI key

CCKWMCUOHJAVOL-UHFFFAOYSA-N

assay

98%

form

solid

pKa 

7.26

mp

178-180 °C (lit.)

fluorescence

λex 385 nm; λem 502 nm in methanol

General description

7-Hydroxy-4-(trifluoromethyl)coumarin is a class of 7-hydroxycoumarin that is majorly used as laser dyes. It has a characterized emission spectra and may be used in excited state proton transfer (ESPT).

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ0127
MKCN6054
MKCM3164
MKCC3332
MKBX9560V

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Base-induced phototautomerization in 7-hydroxy-4-(trifluoromethyl) coumarin
Westlake BC, et al.
The Journal of Physical Chemistry B, 116(51), 14886-14891 (2012)
Sean Ekins et al.
Drug metabolism and disposition: the biological fate of chemicals, 31(9), 1077-1080 (2003-08-16)
CYP2D6 and CYP3A4 represent two particularly important members of the cytochrome p450 enzyme family due to their involvement in the metabolism of many commercially available drugs. Avoiding potent inhibitory interactions with both of these enzymes is highly desirable in early
Brian Dean et al.
Archives of biochemistry and biophysics, 426(1), 55-62 (2004-05-08)
Two UDP-glucuronosyltransferases (UGT2B9(*)2 and UGT2B33) have been isolated from female rhesus monkey liver. Microsomal preparations of the cell lines expressing the UGTs catalyzed the glucuronidation of the general substrate 7-hydroxy-4-(trifluoromethyl)coumarin in addition to selected estrogens (beta-estradiol and estriol) and opioids
Viktoriia Burkina et al.
Molecules (Basel, Switzerland), 25(11) (2020-06-14)
Water from wastewater treatment plants contains concentrations of pharmaceutically active compounds as high as micrograms per liter, which can adversely affect fish health and behavior, and contaminate the food chain. Here, we tested the ability of the common carp hepatic
Risto O Juvonen et al.
Xenobiotica; the fate of foreign compounds in biological systems, 49(9), 1015-1024 (2018-10-03)
Cytochrome P450 (CYP) enzymes constitute an essential xenobiotic metabolizing system that regulates the elimination of lipophilic compounds from the body. Convenient and affordable assays for CYP enzymes are important for assessing these metabolic pathways. In this study, 10 novel profluorescent
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