Name: 2-CHLORO-3-QUINOLINECARBOXYLIC ACID
SKU: 73776-25-7

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Basic Information

Molecular Structure:
CAS No.:	73776-25-7
Name:	2-CHLORO-3-QUINOLINECARBOXYLIC ACID
Article Data:	22

Formula:	C₁₀H₆ClNO₂
Molecular Weight:	207.616
Synonyms:	2-Chloro-3-quinolinecarboxylicacid;
Density:	1.469 g/cm³
Melting Point:	199-240 °C
Boiling Point:	363.8 °C at 760 mmHg
Flash Point:	173.8 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37
PSA:	50.19000
LogP:	2.58640

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Specification

The 3-Quinolinecarboxylicacid, 2-chloro-, with the CAS registry number 73776-25-7, is also known as 2-Chloro-3-quinolinecarboxylic acid. It belongs to the product categories of Pharmacetical; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinolines; Quinolines Heterocyclic Building Blocks. This chemical's molecular formula is C₁₀H₆ClNO₂ and molecular weight is 207.61. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloroquinoline-3-carboxylic acid.

Physical properties about 3-Quinolinecarboxylicacid, 2-chloro- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å²; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 54.01 cm³; (13)Molar Volume: 141.2 cm³; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.469 g/cm³; (16)Flash Point: 173.8 °C; (17)Enthalpy of Vaporization: 64.35 kJ/mol; (18)Boiling Point: 363.8 °C at 760 mmHg; (19)Vapour Pressure: 6.24E-06 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. It is harmful if swallowed and may cause damage to health. Therefore, you should wear suitable protective clothing and gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc2ccccc2nc1Cl
(2) InChI: InChI=1/C10H6ClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
(3) InChIKey: XFSORZYTTCOBFN-UHFFFAOYAO