7-Bromo-4-hydroxy-3-quinolinecarboxylic acid supplier

Name
7-Bromo-4-hydroxy-3-quinolinecarboxylic acid
EINECS -0
CAS No. 860205-92-1
Article Data2
CAS DataBase
Density 1.805 g/cm³
Solubility
Melting Point
Formula C₁₀H₆BrNO₃
Boiling Point 408.023 °C at 760 mmHg
Molecular Weight 268.067
Flash Point 200.565 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-quinolinecarboxylic acid, 7-bromo-4-hydroxy-;7-bromo-4-hydroxyquinoline-3-carboxylic acid;7-Bromo-4-hydroxy-3-quinolinecarboxylic acid;7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
PSA 70.16000
LogP 1.98880

7-Bromo-4-hydroxy-3-quinolinecarboxylic acid Specification

The CAS registry number of 7-Bromo-4-hydroxy-3-quinolinecarboxylic acid is 860205-92-1. The IUPAC name is 7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. It belongs to the class of Quinoline. In addition, the molecular formula is C₁₀H₆BrNO₃ and the molecular weight is 268.06.

Physical properties about 7-Bromo-4-hydroxy-3-quinolinecarboxylic acid are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 428; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.4 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 55.303 cm³; (15)Molar Volume: 148.513 cm³; (16)Polarizability: 21.924×10^-24cm³; (17)Surface Tension: 65.897 dyne/cm; (18)Density: 1.805 g/cm³; (19)Flash Point: 200.565 °C; (20)Enthalpy of Vaporization: 69.592 kJ/mol; (21)Boiling Point: 408.023 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2c(c1)N/C=C(\C2=O)C(=O)O
(2)InChI: InChI=1/C10H6BrNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
(3)InChIKey: SKEXUXOCAHNLRH-UHFFFAOYAQ

Product Name

7-Bromo-4-hydroxy-3-quinolinecarboxylic acid

7-Bromo-4-hydroxy-3-quinolinecarboxylic acid Specification

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