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| CAS No.: | 23851-84-5 |
|---|---|
| Name: | 4-HYDROXY-8-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ETHYL ESTER |
| Molecular Structure: | |
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| Formula: | C13H10F3NO3 |
| Molecular Weight: | 285.223 |
| Synonyms: | 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester;Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate;NSC 103777; |
| EINECS: | 245-914-2 |
| Density: | 1.373 g/cm3 |
| Boiling Point: | 352.2 °C at 760 mmHg |
| Flash Point: | 166.8 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 59.42000 |
| LogP: | 3.13590 |
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Specification
The 3-Quinolinecarboxylicacid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester, with the CAS registry number 23851-84-5, is also known as 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester. It belongs to the product categories of Blocks; Carboxes; Quinolines; Acids and Derivatives; Heterocycles; Quinoline & Isoquinoline. Its EINECS number is 245-914-2. This chemical's molecular formula is C13H10F3NO3 and molecular weight is 285.2186. Its systematic name is called ethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-Quinolinecarboxylicacid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 40.7; (5)ACD/BCF (pH 7.4): 8.99; (6)ACD/KOC (pH 5.5): 194.23; (7)ACD/KOC (pH 7.4): 42.9; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 62.06 cm3; (13)Molar Volume: 207.7 cm3; (14)Surface Tension: 38.5 dyne/cm; (15)Density: 1.373 g/cm3; (16)Flash Point: 166.8 °C; (17)Enthalpy of Vaporization: 59.7 kJ/mol; (18)Boiling Point: 352.2 °C at 760 mmHg; (19)Vapour Pressure: 3.9E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc2c1N/C=C(\C2=O)C(=O)OCC
(2)InChI: InChI=1/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)
(3)InChIKey: XSNJFNKOHAUNPO-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04777, |