7-Quinolinecarboxylicacid, 4-chloro- supplier

Name
4-chloroquinoline-7-carboxylic acid
EINECS 200-589-5
CAS No. 49713-58-8
Article Data11
CAS DataBase
Density 1.469 g/cm³
Solubility
Melting Point
Formula C₁₀H₆ClNO₂
Boiling Point 364.2 °C at 760 mmHg
Molecular Weight 207.61
Flash Point 174.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-7-quinolinecarboxylic acid;7-Carboxy-4-chloroquinoline;4-Chloroquinoline-7-carboxylic acid;
PSA 50.19000
LogP 2.58640

7-Quinolinecarboxylicacid, 4-chloro- Specification

The 7-Quinolinecarboxylicacid, 4-chloro-, with the CAS registry number 49713-58-8, is also known as 7-Carboxy-4-chloroquinoline. This chemical's molecular formula is C₁₀H₆ClNO₂ and molecular weight is 207.61. What's more, its systematic name is 4-Chloroquinoline-7-carboxylic acid and it belongs to the product category of Chiral Chemicals.

Physical properties of 7-Quinolinecarboxylicacid, 4-chloro- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.28; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.19 Å²; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 54.01 cm³; (14)Molar Volume: 141.2 cm³; (15)Polarizability: 21.41×10^-24cm³; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 1.469 g/cm³; (18)Flash Point: 174.1 °C; (19)Enthalpy of Vaporization: 64.4 kJ/mol; (20)Boiling Point: 364.2 °C at 760 mmHg; (21)Vapour Pressure: 6.08E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2nccc(Cl)c2cc1
(2)InChI: InChI=1S/C10H6ClNO2/c11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9/h1-5H,(H,13,14)
(3)InChIKey: VMGVGPMZWPOPJP-UHFFFAOYSA-N

Product Name

4-chloroquinoline-7-carboxylic acid

7-Quinolinecarboxylicacid, 4-chloro- Specification

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