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アッセイ
98%
形状
solid
bp
247 °C/753 mmHg (lit.)
mp
107-110 °C (lit.)
官能基
carboxylic acid
fluoro
SMILES記法
OC(=O)c1ccccc1C(F)(F)F
InChI
1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI Key
FBRJYBGLCHWYOE-UHFFFAOYSA-N
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関連するカテゴリー
アプリケーション
2-(Trifluoromethyl)benzoic acid was used in the synthesis of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety. It was also used to investigate the binding of 2-pyridinone and amino acid derivative as ligands with chaperones PapD and FimC by surface plasmon resonance and 1HNMR spectroscopy.
シグナルワード
Warning
危険有害性情報
危険有害性の分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
ターゲットの組織
Respiratory system
保管分類コード
11 - Combustible Solids
WGK
WGK 3
引火点(°F)
Not applicable
引火点(℃)
Not applicable
個人用保護具 (PPE)
dust mask type N95 (US), Eyeshields, Gloves
適用法令
試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。
Jan Code
196886-1G:
196886-BULK:
196886-5G:
196886-VAR:
R D Farrant et al.
Journal of pharmaceutical and biomedical analysis, 13(8), 971-977 (1995-07-01)
Many drugs containing carboxylic acid functional groups are metabolised in vivo to ester glucuronides (1-O-acyl-beta-D-glucopyranuronates) and, of these, a number show a propensity to undergo internal isomerisation via a transacylation process, causing the carboxylic acid moiety to migrate successively to
Tobias Tengel et al.
Organic & biomolecular chemistry, 2(5), 725-731 (2004-02-27)
Identification of compounds from chemical libraries that bind to macromolecules by use of NMR spectroscopy has gained increasing importance during recent years. A simple methodology based on (19)F NMR spectroscopy for the screening of ligands that bind to proteins, which
B Chandrakantha et al.
European journal of medicinal chemistry, 45(3), 1206-1210 (2009-12-17)
In the present study a series of new 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety were synthesized. These newly synthesized compounds were characterized by NMR, mass spectral, IR spectral study and also by C, H, N analyses. All the newly synthesized compounds
Studies on the metabolism of fluorinated xenobiotics in the rat using 19F-NMR and 1H-NMR spectroscopy.
F Y Ghauri et al.
Journal of pharmaceutical and biomedical analysis, 8(8-12), 939-944 (1990-01-01)
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