7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
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7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
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CAS No:
575-04-2
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Formula:
C11H7F3O3
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Chemical Name:
7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
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Synonyms:
7-methoxy-4-trifluoromethylcoumarin;7-Methoxy-4-(trifluoromethyl)coumarin;7-methoxy-4-(trifluoromethyl)-2h-chromen-2-one;7-methoxy-4-(trifluoromethyl)chromen-2-one;PubChem13299;Methyl 4-(trifluoromethyl)umbelliferyl ether;CBMicro_006289;SCHEMBL236736;BDBM21171
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CAS No:
Characteristics
35.5
2.82040
1.418g/cm3
113-114 °C(Solv: ethanol (64-17-5); water (7732-18-5))
287.4ºC at 760 mmHg
123.6ºC
1.506
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 129 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
7-methoxy-4-trifluoromethylcoumarin has known human metabolites that include 7-Hydroxy-4-trifluoromethylcourmarin.
7-methoxy-4-trifluoromethylcoumarin
7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN Use and Manufacturing
Fluorescent substrate for oxidoreductases, especially for Cytochrome P450.
Computed Properties
Molecular Weight:244.17
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:244.03472857
Monoisotopic Mass:244.03472857
Topological Polar Surface Area:35.5
Heavy Atom Count:17
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
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