CAS No.59-00-7,XANTHURENIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	59-00-7
Name:	XANTHURENIC ACID
Article Data:	10

Formula:	C10H7 N O4
Molecular Weight:	205.17
Synonyms:	Quinaldicacid, 4,8-dihydroxy- (8CI); 4,8-Dihydroxy-2-quinolinecarboxylic acid;4,8-Dihydroxyquinaldic acid; 8-Hydroxykynurenic acid; NSC 401570; Xanthurenicacid; Xanthuric acid
EINECS:	200-410-1
Density:	1.569g/cm³
Melting Point:	297-298 ºC
Boiling Point:	416.8°Cat760mmHg
Flash Point:	205.8°C
Appearance:	ochre powder
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	90.65000
LogP:	1.34420

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Chemistry

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:

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NO_x.
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

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 .