7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN
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7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN
structure -
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CAS No:
575-03-1
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Formula:
C10H5F3O3
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Chemical Name:
7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN
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Synonyms:
7,4-HFC;7-hydroxy-4-trifluoromethylcoumarin;7-Hydroxy-4-(trifluoromethyl)coumarin;7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one;7-hydroxy-4-(trifluoromethyl)chromen-2-one;4-(Trifluoromethyl)umbelliferone;2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-;7-Hydroxy-4-trifluoromethyl-chromen-2-one;CHEMBL104679
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CAS No:
7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN Basic Attributes
230.14
230.019073
138174
DTXSID80206109
29322090
Characteristics
46.5
2.4
Off-white to light yellow or pink powder
1.6±0.1 g/cm3
178-180 °C(lit.)
311.4°C at 760 mmHg
142.2±27.9 °C
1.546
DMF: soluble
Safety Information
IRRITANT
UN28116.1/PG3
3
36/37/38-25
26-36-45
Xi,T
Irritant
P261-P264-P301 + P310-P305 + P351 + P338
H300-H315-H319-H335
|Danger|H300 (95.56%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 135 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
7-Hydroxy-4-trifluoromethylcourmarin is a known human metabolite of 4-(trifluoromethyl)-7-[2,5-bis(trifluoromethyl)benzyloxy]coumarin, 7-Ethoxy-4-trifluoromethylcoumarin, 7-benzyloxy-4-trifluoromethylcoumarin, 7-methoxy-4-trifluoromethylcoumarin, and zinc02949712.
7,4-HFC
7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN Use and Manufacturing
7-Hydroxy-4-(trifluoromethyl)coumarin is an halogenated metabolite of Coumarin (C755380), an naturally occurring organic compound that exists in many plants. Coumarin is the precursor molecule in the synthesis of various synthetic anti-coagulant such as warfarin (W498500)/.
Computed Properties
Molecular Weight:230.14
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:230.01907850
Monoisotopic Mass:230.01907850
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN
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