4-(Trifluoromethyl)salicylic Acid - CAS 328-90-5

Catalog:	BB021462
Product Name:	4-(Trifluoromethyl)salicylic Acid
CAS:	328-90-5
Synonyms:	2-hydroxy-4-(trifluoromethyl)benzoic acid; 2-hydroxy-4-(trifluoromethyl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-4-(trifluoromethyl)benzoic acid
Description:	The active metabolite of Triflusal; inhibits cardiac hypertrophy in vitro and in vivo by blocking the NF-κB signaling pathway.
Molecular Weight:	206.12
Molecular Formula:	C8H5F3O3
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
InChI:	InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
InChI Key:	XMLFPUBZFSJWCN-UHFFFAOYSA-N
Boiling Point:	286.4 °C at 760 mmHg
Density:	1.539 g/cm³
MDL:	MFCD01529657
LogP:	2.10920

Publication Number	Title	Priority Date
CN-111838514-A	Steam explosion treatment method and steam explosion device for wheat bran with gibberellic disease	20200609
US-2021191268-A1	Resist composition and method of forming resist pattern	20191218
US-2021181632-A1	Resist composition and method of forming resist pattern	20191211
US-2021181633-A1	Resist composition and method of forming resist pattern	20191211
US-2021181634-A1	Resist composition and method of forming resist pattern	20191211

PMID	Publication Date	Title	Journal
22098139	20111201	A phase I study to characterize the multiple-dose pharmacokinetics, pharmacodynamics and safety of new enteric-coated triflusal formulations in healthy male volunteers	Expert opinion on drug metabolism & toxicology
22125445	20110101	Comparative effects of triflusal, S-adenosylmethionine, and dextromethorphan over intestinal ischemia/reperfusion injury	TheScientificWorldJournal
20402644	20100801	Electrochemical behavior of triflusal, aspirin and their metabolites at glassy carbon and boron doped diamond electrodes	Combinatorial chemistry & high throughput screening
20184225	20100101	Comparative bioavailability study of triflusal oral solution vs. triflusal capsules in healthy subjects. A single, randomized, two-way cross-over, open-label phase I study	Arzneimittel-Forschung
20302107	20100101	[New highly phosphorescent heteroleptic tris-cyclometalated iridium (III) complexes: synthesis and photophysical characterization]	Guang pu xue yu guang pu fen xi = Guang pu

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Carbonyl Compounds

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GHS Hazard Statement:	H301 (69.23%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.01907850
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.01907850
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5