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CAS No.: | 1078-30-4 |
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Name: | 7-Quinolinecarboxylic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H7NO2 |
Molecular Weight: | 173.171 |
Synonyms: | AKOS BBS-00005341;quinoline-7-carboxylic acid; |
Density: | 1.339 g/cm3 |
Melting Point: | 249.5°C |
Boiling Point: | 348.7 °C at 760 mmHg |
Flash Point: | 164.7 °C |
Safety: | 24/25 |
PSA: | 50.19000 |
LogP: | 1.93300 |
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The 7-Quinolinecarboxylic acid with the CAS number 1078-30-4 is also called AKOS BBS-00005341. The systematic name is quinoline-7-carboxylic acid. Its molecular formula is C10H7NO2. The product category is Quinoline Derivertives. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 7-Quinolinecarboxylic acid are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): -1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 49.11 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Enthalpy of Vaporization: 62.6 kJ/mol; (19)Vapour Pressure: 1.85×10-5 mmHg at 25°C.
Preparation: This chemical can be prepared by 7-methyl-quinoline. This reaction needs reagent aqueous H2SO4 and CrO3.
Uses: This chemical can prepare 7-trifluoromethyl-quinoline. This reaction needs reagent SF4 and HF at temperature of 150 °C. The reaction time is 15 hours. The yield is 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2ncccc2cc1
(2)InChI: InChI=1/C10H7NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,(H,12,13)
(3)InChIKey: WXXVQWSDMOAHHV-UHFFFAOYAW