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7-Quinolinecarboxylicacid (1078-30-4)

Identification
Name:7-Quinolinecarboxylicacid
Synonyms:AKOS BBS-00005341;quinoline-7-carboxylic acid;
CAS:1078-30-4
Molecular Formula: C10H7NO2
Molecular Weight: 173.17
InChI: InChI=1/C10H7NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,(H,12,13)
Molecular Structure: (C10H7NO2) AKOS BBS-00005341;quinoline-7-carboxylic acid;
Properties
Density:1.339 g/cm3
Refractive index:1.684
Specification:

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

Safety Data