什么是4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2)？

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 是一种化学品，CAS 登记号为 158063-66-2。分子式: C7H4F3NO2. 摩尔质量: 191.11 g/mol. IUPAC: 4-(trifluoromethyl)pyridine-3-carboxylic acid.

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 的 CAS 号是多少？

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 的 CAS 号为 158063-66-2——化学文摘社 (CAS) 的唯一标识符。

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 的分子式是什么？

分子式: C7H4F3NO2. 摩尔质量: 191.11 g/mol. logP (XLogP3): 1.3. PSA: 50.2 Å².

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 有哪些 GHS 危害？

根据 GHS 分类，4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 须标注以下危险说明： H315 (造成皮肤刺激), H319 (造成严重眼刺激), H335 (可引起呼吸道刺激).

在哪里可以购买4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2)？

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 在我们的商店有售。查看产品：https://molgod.org/sds-cards/4-trifluoromethylnicotinic-acid-cas-158063-66-2/

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 的化学数据来自哪里？

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 的化学数据来自权威来源：PubChem (NIH)。 PubChem CID: 2777549. 符合 CLP 法规（EC 1272/2008），依据 CC-BY 4.0 许可提供。

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2)

Name: 4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) (CAS 158063-66-2) ——完整化学数据集
Creator: MolGod
License: https://creativecommons.org/licenses/by/4.0/

3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

CAS 158063-66-2 · C₇H₄F₃NO₂ · MW 191.11 g/mol

关于 4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2)

4-(Trifluoromethyl)nicotinic acid (CAS 158063-66-2) 是一种化学品，登记号为 CAS 158063-66-2，分子式为 C₇H₄F₃NO₂，摩尔质量为 191.11 g/mol。

该分子包含 17 个原子，通过 17 个化学键连接。该化合物的完整系统 IUPAC 名称为 4-(trifluoromethyl)pyridine-3-carboxylic acid。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 1.3 (正值，亲脂性化合物)，极性表面积 PSA = 50.2 Å²，1 个氢键供体和 6 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Wzór sumaryczny	C₇H₄F₃NO₂
Masa molowa	191.11 g/mol
IUPAC	4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILES	`C1=CN=CC(=C1C(F)(F)F)C(=O)O`
InChIKey	`LMRJHNFECNKDKH-UHFFFAOYSA-N`
logP (XLogP3)	1.3
PSA	50.2 Å²
HBD / HBA	1 / 6
PubChem CID	CID 2777549 ↗

GHS 安全

Sygnał: Uwaga

GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

科学文献

Related literature

16 artykułów · 2 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

📈 Timeline publikacji (16 artykułów)

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

Copper coordination polymers containing pyridinecarboxylate and multicarboxylate: [Cu1.5(ina)(btcH)]·H2O, [Cu2(ina)2(bdc)0.5(μ3-OH)], and [Cu(ina)(na)] (inaH=4-pyridinecarboxylic acid, btcH3=1,3,5-benzenetricarboxylic acid, bdcH2=1,3-benzenedicarboxylic acid, naH=3-pyridinecarboxylic acid)

Hyun Sue Huh, Soon W. Lee (2007) · Journal of Molecular Structure

Cytowania: 22$ PaywallDOI ↗

1,6-Dimethyl-4-hydroxy-3-pyridinecarboxylic acid and 4-hydroxy-2-methyl-3-pyridinecarboxylic acid as new possible chelating agents for iron and aluminium

Annalisa Dean, Maria Grazia Ferlin, Paola Brun et al. (2009) · Dalton Transactions

Cytowania: 18$ PaywallDOI ↗

Evaluation of 4-hydroxy-6-methyl-3-pyridinecarboxylic acid and 2,6-dimethyl-4-hydroxy-3-pyridinecarboxylic acid as chelating agents for iron and aluminium

Annalisa Dean, Maria Grazia Ferlin, Paola Brun et al. (2011) · Inorganica Chimica Acta

Cytowania: 8$ PaywallDOI ↗

2{[3-(Trifluoromethyl)phenyl]amino}-3-pyridinecarboxylic acid (niflumic acid)

H. M. Krishna Murthy, M. Vijayan (1979) · Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry

Cytowania: 39$ PaywallDOI ↗

Evaluation of 1,2-dimethyl-3-hydroxy-4-pyridinecarboxylic acid and of other 3-hydroxy-4-pyridinecarboxylic acid derivatives for possible application in iron and aluminium chelation therapy

Annalisa Dean, Maria Grazia Ferlin, Mirjana Cvijovic et al. (2014) · Polyhedron

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Synthesis and characterization of tri(o-fluorobenzyl)tin esters of heteroaromatic carboxylic acid and crystal structures of tri(o-fluorobenzyl)tin esters of 4-pyridinecarboxylic acid and 3-pyridinecarboxylic acid

Handong D. Yin, Chuanhua Wang, Chunlin Ma et al. (2004) · Journal of Organometallic Chemistry

Cytowania: 25$ PaywallDOI ↗

Vibrational and theoretical studies of the non-steroidal anti-inflamatory drugs Niflumic [2-3((3-trifluoromethyl)phenylamino)-3-pyridinecarboxylic acid]; Diclofenac [[2-(2,6-dichlorophenyl)amino]-benzeneacetic acid] and Indometacin acids [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid]

Alicia Jubert, Néstor E. Massa, Leonor López Tévez et al. (2005) · Vibrational Spectroscopy

Cytowania: 22$ PaywallDOI ↗

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Quantum Chemical Calculations, Molecular Docking and ADMET Studies of Trans-4-(trifluoromethyl)cinnamic acid.

(2024)

Open AccessDOI ↗PDF ↗

SYNTHESIS, ELECTROCHEMICAL CHARACTERIZATION AND POTENTIOMETRIC TITRATION of trans-[RuCl2(L)4] COMPLEXES (L ˭ PYRIDINE DERIVED LIGANDS: 3-PYRIDINECARBOXYLIC ACID AND 4-PYRIDINECARBOXYLIC ACID)

Marcos M.S. Paula, Marcia M. Meier, Bruno Szpoganicz et al. (1999) · Journal of Coordination Chemistry

Cytowania: 11$ PaywallDOI ↗

Identification of a pyridinium metabolite in human urine following a single oral dose of 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid monohydrochloride (CI-966), a .gamma.-aminobutyric acid uptake inhibitor

Louis Radulovic, Thomas Woolf, Susan Bjorge et al. (1993) · Chemical Research in Toxicology

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FTIR, FT-Raman Spectra and ab initio DFT Vibrational Analysis Of 3-Pyridinecarboxylic Acid And 2-Flluoro-3-Pyridinecarboxylic Acid

Priyanka Singh, G. Srivastav, N. P. Singh et al. (2010) · AIP Conference Proceedings

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3,6‐Dichloro‐2‐Pyridinecarboxylic Acid 1702‐17‐6

(2004) · Sax's Dangerous Properties of Industrial Materials

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3,6‐Dichloro‐2‐Pyridinecarboxylic Acid 1702‐17‐6

(2012) · Sax's Dangerous Properties of Industrial Materials

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2‐(1‐((((3,5‐Difluorophenyl)Amino)‐Carbonyl)Hydrazono)Ethyl)‐3‐Pyridinecarboxylic Acid, 98.1% 109293‐97‐2

(2004) · Sax's Dangerous Properties of Industrial Materials

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2‐(1‐((((3,5‐difluorophenyl)amino)carbonyl)hydrazono)ethyl)‐3‐pyridinecarboxylic Acid, 98.1%

(2007) · Hawley's Condensed Chemical Dictionary

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Nucleophilic Substitution on 4Nitro and 4Methoxy3pyridinecarboxylic Acid1oxides

Svatava Voltrová (1997) · Molecules

Open AccessDOI ↗PDF ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

158063-66-2 · 4-(Trifluoromethyl)pyridine-3-carboxylic acid · 3-pyridinecarboxylic acid, 4-(trifluoromethyl)- · 4-Trifluoromethylnicotinic acid · 4-Trifluoromethylpyridine-3-carboxylic acid · 04F679X18B · RefChem:505193 · DTXCID00331583 · 623-902-1 · 4-(Trifluoromethyl)nicotinic acid · tfna · MFCD00082626 · Flonicamid (free acid) · 4-Trifluoromethyl-nicotinic acid · 4-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID

数据来源

📊 PubChem CID 2777549 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

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