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About This Item
線性公式:
FC6H3(CF3)CO2H
CAS號碼:
分子量：:
208.11
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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推薦產品
化驗
98%
mp
121-124 °C (lit.)
SMILES 字串
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 密鑰
JUHPDXOIGLHXTC-UHFFFAOYSA-N
一般說明
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.[1]
訊號詞
Warning
危險聲明
危險分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
Not applicable
閃點（°C）
Not applicable
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
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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