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Key Documents

188344

Sigma-Aldrich

3-(三氟甲基)苯甲酸

99%

同義詞:

α,α,α-三氟间甲苯酸, 间三氟甲基苯甲酸

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About This Item

線性公式:
CF3C6H4CO2H
CAS號碼:
分子量::
190.12
Beilstein:
2049239
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

99%

形狀

solid

bp

238.5 °C/775 mmHg (lit.)

mp

104-106 °C (lit.)

官能基

carboxylic acid
fluoro

SMILES 字串

OC(=O)c1cccc(c1)C(F)(F)F

InChI

1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI 密鑰

FQXQBFUUVCDIRK-UHFFFAOYSA-N

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一般說明

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.

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


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分析證明 (COA)

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Aneela Maalik et al.
Bioorganic chemistry, 88, 102946-102946 (2019-05-06)
An irrefutable advancement has been noted for the infectious diseases caused due to ureolytic bacteria through the development of various drugs. Keeping in mind the extremely valuable synthetic utility and medicinal significance of thiourea derivatives, synthesis of new 3-trifluoromethyl benzoic
Solubility of fluorinated pharmaceuticals in dense carbon dioxide.
Laitinen A, et al.
Organic Process Research & Development, 4(5), 353-356 (2000)
Alberto Gallardo et al.
Journal of biomaterials science. Polymer edition, 15(7), 917-928 (2004-08-21)
The in vitro aqueous behaviour of a metacryloyloxyethyl [2-(acetyloxy)-4-(trifluoromethyl)]benzoate (THEMA)/N,N'-dimethylacrylamide (DMA) copolymer with a THEMA molar content of 39% (labeled THDMA39) has been investigated. This composition has been selected to achieve a system able to keep both the non-water solubility
K H Engesser et al.
Archives of microbiology, 149(3), 188-197 (1988-01-01)
The TOL plasmid-encoded enzymes of the methylbenzoate pathway in Pseudomonas putida mt-2 cometabolized 3-trifluoromethyl (TFM)-benzoate. Two products, 3-TFM-1,2-dihydroxy-2-hydrobenzoate (3-TFM-DHB) and 2-hydroxy-6-oxo-7,7,7-trifluoro-hepta-2,4-dienoate (7-TFHOD) were identified chemically and by spectroscopic properties. TFM-substituted analogues of the metabolites of the methylbenzoate pathway were generally
S A Selifonov et al.
Biochemical and biophysical research communications, 213(3), 759-767 (1995-08-24)
Pseudomonas aeruginosa strain 142 oxidizes 2-halobenzoates via a multicomponent oxygenase (V. Romanov and R.P. Hausinger, J. Bacteriol., 1994, 176(11), 3368-3374). The intermediacy of a highly unstable cis-diol in the reaction has been proposed. Direct evidence for this is currently lacking

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