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Home> Encyclopedia > Hot Product Listed 7   > 7-Chloro-4-Hydroxy Quinoline-3-Carboxylic Acid
86-47-5 structure

7-Chloro-4-Hydroxy Quinoline-3-Carboxylic Acid

Iupac Name:7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CAS No.:86-47-5
EINECS(EC#): 201-673-5
Molecular Weight:223.61300
Molecular Formula:C10H6ClNO3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/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)
InChkey
SACLIBNEKWTDEG-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1Cl)NC=C(C2=O)C(=O)O
Properties
Density
1.549 g/cm3
Melting Point
250°C (dec.)(lit.)
Boiling Point
395ºC at 760 mmHg
Refractive Index
1.648
Flash Point
192.7ºC
HS Code
2933499090
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26-S36
Safety

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

Toxicity

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

Specification

  3-Quinolinecarboxylicacid, 7-chloro-4-hydroxy- , 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 .

Computational chemical data
  • Molecular Weight:223.61300g/mol
  • Molecular Formula:C10H6ClNO3
  • Compound Is Canonicalized:True
  • Exact Mass:223.004
  • Monoisotopic Mass:223.004
  • Complexity:340
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByMAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgIQCAAADA7BmCQwyILAAgCI AqTWSACCAAAlBwAIiIEIZsgIJD7Jl5GEYYhksABI2ceY2aOeBAAAAAICAAAIAAAABAQAAAAAAAAA AA==
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