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CAS No.: | 62482-29-5 |
---|---|
Name: | 6-CHLORO-QUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H6ClNO2 |
Molecular Weight: | 207.616 |
Synonyms: | 6-Chloro-4-quinolinecarboxylicacid;6-Chloro-quinoline-4-carboxylic acid; |
Density: | 1.469 g/cm3 |
Melting Point: | 302 °C |
Boiling Point: | 382.1 °C at 760 mmHg |
Flash Point: | 184.9 °C |
Hazard Symbols: | Xi |
PSA: | 50.19000 |
LogP: | 2.58640 |
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The CAS register number of 4-Quinolinecarboxylicacid, 6-chloro- is 62482-29-5. It also can be called as 6-Chloro-4-quinolinecarboxylicacid and the IUPAC name about this chemical is 6-chloroquinoline-4-carboxylic acid. The molecular formula about this chemical is C10H6ClNO2 and the molecular weight is 207.61. It belongs to the following product category which includes Chiral chemicals. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Quinolinecarboxylicacid, 6-chloro- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (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: 39.19 Å2; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 54.01 cm3; (14)Molar Volume: 141.2 cm3; (15)Polarizability: 21.41x10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 1.469 g/cm3; (18)Flash Point: 184.9 °C; (19)Enthalpy of Vaporization: 66.51 kJ/mol; (20)Boiling Point: 382.1 °C at 760 mmHg; (21)Vapour Pressure: 1.6E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nccc(c2c1)C(=O)O
(2)InChI: InChI=1/C10H6ClNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
(3)InChIKey: ZRYMLJGLNAOPNK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H6ClNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
(5)Std. InChIKey: ZRYMLJGLNAOPNK-UHFFFAOYSA-N