方案
98%
表单
solid
pKa
7.26
mp
178-180 °C (lit.)
荧光
λex 385 nm; λem 502 nm in methanol
SMILES字符串
Oc1ccc2c(OC(=O)C=C2C(F)(F)F)c1
InChI
1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChI key
CCKWMCUOHJAVOL-UHFFFAOYSA-N
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一般描述
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).
警示用语：
Danger
危险分类
Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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
S Ekins et al.
Pharmacogenetics, 7(3), 165-179 (1997-06-01)
7-Ethoxy-4-trifluoromethylcoumarin (7-EFC) was examined as a substrate for cytochrome P450 (P450) in microsomes from human livers and expressed in B-lymphoblastoid cells. The O-deethylation of 7-EFC to 7-hydroxy-4-trifluoromethylcoumarin (7-HFC) varied over a liver bank (n = 19) by a factor of
Anima Ghosal et al.
Drug metabolism and disposition: the biological fate of chemicals, 32(2), 267-271 (2004-01-28)
Posaconazole (Noxafil, SCH 56592), an orally available broad-spectrum triazole antifungal, is currently in phase III clinical studies for treating serious opportunistic fungal infections. The major in vitro metabolite of posaconazole formed by human liver microsomes supplemented with uridine 5'-diphosphate-glucuronic acid
Base-induced phototautomerization in 7-hydroxy-4-(trifluoromethyl) coumarin
Westlake BC, et al.
The Journal of Physical Chemistry B, 116(51), 14886-14891 (2012)
Risto O Juvonen et al.
Xenobiotica; the fate of foreign compounds in biological systems, 50(8), 885-893 (2020-01-07)
Sulfonation is an important high affinity elimination pathway for phenolic compounds.In this study sulfonation of 7-hydroxycoumarin and 13 its derivatives were evaluated in liver cytosols of human and six animal species. 7-hydroxycoumarin and its derivatives are strongly fluorescent, and their
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