2-(3-(Trifluoromethyl)phenoxy)nicotinic acid

Modify Date: 2025-08-26 17:54:04

2-(3-(Trifluoromethyl)phenoxy)nicotinic acid Structure
2-(3-(Trifluoromethyl)phenoxy)nicotinic acid structure
Common Name 2-(3-(Trifluoromethyl)phenoxy)nicotinic acid
CAS Number 36701-89-0 Molecular Weight 283.20300
Density 1.421g/cm3 Boiling Point 366ºC at 760mmHg
Molecular Formula C13H8F3NO3 Melting Point 156-159ºC
MSDS USA Flash Point 175.2ºC

 Names

Name 2-[3-(Trifluoromethyl)phenoxy]nicotinic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.421g/cm3
Boiling Point 366ºC at 760mmHg
Melting Point 156-159ºC
Molecular Formula C13H8F3NO3
Molecular Weight 283.20300
Flash Point 175.2ºC
Exact Mass 283.04600
PSA 59.42000
LogP 3.59090
Index of Refraction 1.541
InChIKey OBRGOFGSXWAVNZ-UHFFFAOYSA-N
SMILES O=C(O)c1cccnc1Oc1cccc(C(F)(F)F)c1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2933399090

 Synthetic Route

~28%

2-(3-(Trifluoromethyl)phenoxy)nicotinic acid Structure

2-(3-(Trifluoro...

CAS#:36701-89-0

Literature: Bissantz, Caterina; Dehmlow, Henrietta; Martin, Rainer E.; Obst Sander, Ulrike; Richter, Hans; Ullmer, Christoph Patent: US2010/105906 A1, 2010 ; Location in patent: Page/Page column 22 ; US 20100105906 A1

~88%

2-(3-(Trifluoromethyl)phenoxy)nicotinic acid Structure

2-(3-(Trifluoro...

CAS#:36701-89-0

Literature: Stauffer Chemical Company Patent: US4251263 A1, 1981 ;

~%

2-(3-(Trifluoromethyl)phenoxy)nicotinic acid Structure

2-(3-(Trifluoro...

CAS#:36701-89-0

Literature: Molecular Pharmacology, , vol. 69, # 1 p. 165 - 173

~21%

2-(3-(Trifluoromethyl)phenoxy)nicotinic acid Structure

2-(3-(Trifluoro...

CAS#:36701-89-0

Literature: Rouchaud, Jean; Gustin, Fabrice; Moulart, Claude; Herin, Marc Bulletin des Societes Chimiques Belges, 1990 , vol. 99, # 5 p. 339 - 344

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicacid
2-(3-trifluoromethyl-phenoxy)-nicotinic acid
2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylicaci
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