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4,8-Dihydroxyquinoline-2-carboxylic acid

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Name

4,8-Dihydroxyquinoline-2-carboxylic acid

EINECS 200-410-1
CAS No. 59-00-7 Density 1.569g/cm3
PSA 90.65000 LogP 1.34420
Solubility N/A Melting Point 297-298 ºC
Formula C10H7 N O4 Boiling Point 416.8°Cat760mmHg
Molecular Weight 205.17 Flash Point 205.8°C
Transport Information N/A Appearance ochre powder
Safety Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx. Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 59-00-7 (XANTHURENIC ACID) Hazard Symbols
Synonyms

Quinaldicacid, 4,8-dihydroxy- (8CI); 4,8-Dihydroxy-2-quinolinecarboxylic acid;4,8-Dihydroxyquinaldic acid; 8-Hydroxykynurenic acid; NSC 401570; Xanthurenicacid; Xanthuric acid

Article Data 10

4,8-Dihydroxyquinoline-2-carboxylic acid Chemical Properties

IUPAC: 8-Hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
 4,8-Dihydroxyquinaldic acid with CAS No.of 59-00-7 is also called for 4,8-Dihydroxyquinaldinic acid ; 4-22-00-02513 (Beilstein Handbook Reference) ; 8-Hydroxykynurenic acid ; BRN 0185954 ; CCRIS 4429 ; EINECS 200-410-1 ; NSC 401570 ; Xanthurenic acid ; 4,8-Dihydroxyquinoline-2-carboxylic acid ; Xanthuric acid and so on.
CAS: 59-00-7
Molecular Formula: C10H7NO4
Molecular Weight: 205.17
EINECS: 200-410-1
ACD/LogP: 2.00  
ACD/LogD (pH 5.5): -0.15 
ACD/LogD (pH 7.4): -1.59 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 2.07 
ACD/KOC (pH 7.4): 1 
H bond acceptors: 5 
H bond donors: 3 
Freely Rotating Bonds: 2
Heavy Atom Count: 15
Formal Charge: 0
Complexity: 336
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Polar Surface Area: 55.84Å2 
Index of Refraction: 1.681 
Molar Refractivity: 49.49 cm3 
Molar Volume: 130.7 cm3
Surface Tension: 76.9 dyne/cm 
Density: 1.569 g/cm3 
Flash Point: 205.8 °C 
Enthalpy of Vaporization: 70.64 kJ/mol 
Boiling Point: 416.8 °C at 760 mmHg
Melting Point: 297-298 °C (dec.)(lit.)
Vapour Pressure: 1.08E-07 mmHg at 25°C 
The molecular structure of  4,8-Dihydroxyquinaldic acid with CAS No.of 59-00-7:

4,8-Dihydroxyquinoline-2-carboxylic acid Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:  Xi Irritant
Risk Statements:  36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:  26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany:  3
RTECS:  UZ9275000

4,8-Dihydroxyquinoline-2-carboxylic acid Specification

1.Removal in wastewater treatment of 4,8-Dihydroxyquinaldic acid (CAS No.59-00-7) :
Total removal:1.85  percent
Total biodegradation:0.09  percent
Total sludge adsorption:1.75  percent
Total to air:0.00  percent
(using 10000 hr Bio P,A,S)
2.Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 
Storage: Store in a cool, dry place. Store in a tightly closed container. 
3.Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
4. 4,8-Dihydroxyquinaldic acid (CAS No.59-00-7) is a chemical shown to induce malaria, it is found in the gut of the anopheles mosquito. After the ingestion of tryptophan, animals are lack of pyridoxine (vitamin B6) which is a metabolic intermediate of 4,8-Dihydroxyquinaldic acid .

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