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86-47-5

Basic Information
CAS No.: 86-47-5
Name: 7-CHLORO-4-HYDROXY QUINOLINE-3-CARBOXYLIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 86-47-5 (7-CHLORO-4-HYDROXY QUINOLINE-3-CARBOXYLIC ACID)
Formula: C10H6 Cl N O3
Molecular Weight: 223.616
Synonyms: 4-Hydroxy-7-chloro-3-quinolinecarboxylicacid; 7-Chloro-4-hydroxyquinoline-3-carboxylic acid; NSC 27801; NSC 56803
EINECS: 201-673-5
Density: 1.549 g/cm3
Melting Point: 250 °C (dec.)(lit.)
Boiling Point: 395 °C at 760 mmHg
Flash Point: 192.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 70.42000
LogP: 2.29200
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Chemistry

IUPAC Name: 7-chloro-4-oxo-1H-quinoline-3-carboxylic acid 
Empirical Formula: C10H6ClNO3
Molecular Weight: 223.6125g/mol
EINECS: 201-673-5 
Structure of 4-Hydroxy-7-chloro-3-quinolinecarboxylic acid (CAS NO.86-47-5):

Index of Refraction: 1.648
Molar Refractivity: 52.5 cm3
Molar Volume: 144.2 cm3
Polarizability: 20.81×10-24cm3
Surface Tension: 64.7 dyne/cm
Density: 1.549 g/cm3
Flash Point: 192.7 °C
Enthalpy of Vaporization: 68.04 kJ/mol
Boiling Point: 395 °C at 760 mmHg
Vapour Pressure: 6E-07 mmHg at 25°C 
Product Categories: Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Quinolines;QuinolinesHeterocyclic Building Blocks 
SMILES: Clc1ccc2c(c1)N/C=C(\C2=O)C(=O)O
InChI: InChI=1/C10H6ClNO3/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) 
InChIKey: SACLIBNEKWTDEG-UHFFFAOYAO

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: VB1950000

Specification

  4-Hydroxy-7-chloro-3-quinolinecarboxylic acid , its cas register number is 86-47-5. It also can be called 3-Carboxy-4-hydroxy-7-chloroquinoline ; 5-22-05-00286 (Beilstein Handbook Reference) ; 7-Chloro-4-hydroxy-3-quinolinecarboxylic acid ; AI3-23857 ; BRN 0171561 ; EINECS 201-673-5 ; NSC 27801 ; Quinoline, 3-carboxy-4-hydroxy-7-chloro- ;
 USAF KF-16 .