7-Hydroxy-4-(trifluoromethyl)coumarin

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7-Hydroxy-4-(trifluoromethyl)coumarin

7-Hydroxy-4-(trifluoromethyl)coumarin | 575-03-1

Catelog Number A15-0016
Category pH Indicators
Molecular Formula C10H5F3O3
Molecular Weight 230.14
Catalog Number Size Price Quantity
A15-0016 -- $--
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Product Introduction

7-Hydroxy-4-(trifluoromethyl)coumarin can be used as a reference standard for fluorescent pH indicator.

Chemical Information
Synonyms 4-Trifluoromethylumbelliferone
IUPAC Name 7-hydroxy-4-(trifluoromethyl)chromen-2-one
Canonical SMILES C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
InChI 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

Product Specification
Signal Danger
GHS Hazard Statements H300 (91.78%): Fatal if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (38.36%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 230.01907850 g/mol
Monoisotopic Mass 230.01907850 g/mol
Topological Polar Surface Area 46.5Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 335
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Literatures

PMIDPublication DateTitleJournal
30776358 2019-04-01 Phase II metabolism of betulin by rat and human UDP-glucuronosyltransferases and sulfotransferases Chemico-biological interactions
23850985 2013-09-01 Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system Toxicology in vitro : an international journal published in association with BIBRA
21391687 2011-04-14 Design, synthesis, and evaluation of coumarin-based molecular probes for imaging of myelination Journal of medicinal chemistry
20865407 2010-12-01 A new ultrafast and high-throughput mass spectrometric approach for the therapeutic drug monitoring of the multi-targeted anti-folate pemetrexed in plasma from lung cancer patients Analytical and bioanalytical chemistry
20620155 2010-08-14 Functional characterization of human and cynomolgus monkey UDP-glucuronosyltransferase 1A1 enzymes Life sciences

Patents

Publication NumberTitlePriority Date
CN-113584099-A A kind of method for preparing dihydrocoumarin or its derivative by adopting microfluidic field reaction technology 2021-07-28
EP-4062942-A1 Disulfide-based prodrug compounds 2021-03-22
CN-112961205-B Preparation method and medical use of a class of sulfonamide compounds with coumarin and glycosyl structures 2021-03-19
WO-2022144095-A1 Biosystems to detect chemical contaminants 2020-12-30
WO-2022140515-A1 Novel cyp3a4-specific inhibitors and methods of using same 2020-12-22

Applications of Fluorescent Probes & Dyes

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