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Merck
CN

436135

Sigma-Aldrich

4-氟-2-(三氟甲基)苯甲酸

98%

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线性分子式:
FC6H3(CF3)CO2H
分子量:
208.11
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

检测方案

98%

mp

121-124 °C (lit.)

SMILES字符串

OC(=O)c1ccc(F)cc1C(F)(F)F

InChI

1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)

InChI key

JUHPDXOIGLHXTC-UHFFFAOYSA-N

一般描述

4-Fluoro-2-(trifluoromethyl)benzoic acid is a substituted benzoic acid derivative. Molecular orbital and empirical methods have been utilized to determine its computed steric and electronic properties.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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Scott B Hoyt et al.
Bioorganic & medicinal chemistry letters, 17(22), 6172-6177 (2007-09-25)
A series of benzazepinones were synthesized and evaluated as hNa(v)1.7 sodium channel blockers. Several compounds from this series displayed good oral bioavailability and exposure and were efficacious in a rat model of neuropathic pain.
F Y Ghauri et al.
Biochemical pharmacology, 44(10), 1935-1946 (1992-11-17)
An extensive set of computed molecular properties, both steric and electronic, have been calculated using molecular orbital and empirical methods for benzoic acid (1) and a congeneric series of substituted benzoic acids, i.e. 2-, 3- and 4-fluorobenzoic acids (2-4), 2-

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