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Merck

188344

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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關於此項目

線性公式:
CF3C6H4CO2H
CAS 編號:
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

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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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本產品
196886196894193356
assay

99%

assay

98%

assay

98%

assay

97%

Quality Level

100

Quality Level

-

Quality Level

100

Quality Level

200

bp

238.5 °C/775 mmHg (lit.)

bp

247 °C/753 mmHg (lit.)

bp

-

bp

-

mp

104-106 °C (lit.)

mp

107-110 °C (lit.)

mp

219-220 °C (lit.)

mp

76-79 °C (lit.)

form

solid

form

solid

form

powder

form

solid

functional group

carboxylic acid

functional group

carboxylic acid, fluoro

functional group

carboxylic acid, fluoro

functional group

carboxylic acid, fluoro

一般說明

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured[1]. 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[2].

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)

Lot/Batch Number

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B F Taylor et al.
FEMS microbiology letters, 110(2), 213-216 (1993-06-15)
m- and p-trifluoromethyl (TFM)-benzoates are incompletely degraded by aerobic bacteria that catabolize alkylbenzoates; biodegradation ceases after ring-fission with the accumulation of a trifluoromethyl muconate semialdehyde (2-hydroxy-6-oxo-7,7,7-trifluorohepta-2,4-dienoate, TFHOD) which is resistant to biochemical attack. A bacterium (Strain V-1), isolated from sea-water
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)
Dissociation constants of neutral and charged acids in methyl alcohol. The acid strength resolution.
Rived F, et al.
Analytica Chimica Acta, 374(2), 309-324 (1998)
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

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