328901
2-硝基-4-(三氟甲基)苯甲酸
98%
别名:
2-硝基-α,α,α-三氟对甲苯酸
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关于此项目
线性分子式:
O2NC6H3(CF3)CO2H
化学文摘社编号:
分子量:
235.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1985588
Assay:
98%
产品名称
2-硝基-4-(三氟甲基)苯甲酸, 98%
assay
98%
mp
134-138 °C (lit.)
InChI
1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)
SMILES string
OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
InChI key
MYSAXQPTXWKDPQ-UHFFFAOYSA-N
functional group
carboxylic acid
fluoro
nitro
Quality Level
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Application
2-Nitro-4-(trifluoromethyl)benzoic acid was used in preparation of 4-trifluoromethyl anthranilic acid.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Przemysław Szczeciński et al.
Acta biochimica Polonica, 55(4), 749-752 (2008-11-29)
Organic extracts of six urine samples from children treated with nitisinone, a medicine against tyrosinemia type I, were investigated by (1)H and (19)F NMR spectroscopy. The presence of unchanged 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC), 6-hydroxy-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC-OH) and 2-nitro-4-trifluoromethylbenzoic acid (NTFA) as well as
Hanna Barchanska et al.
Journal of pharmaceutical and biomedical analysis, 171, 15-21 (2019-04-09)
Nitisinone (2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, NTBC) was the first synthetically produced triketone herbicide. However, its unsatisfactory herbicidal properties, negative impact on the natural environment and the high cost of synthesis have hindered its commercialization as a plant protection agent. Nevertheless, NTBC has become
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