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59-00-7

59-00-7 Structure

59-00-7 Structure
IdentificationMore
[Name]

XANTHURENIC ACID
[CAS]

59-00-7
[Synonyms]

4,8-DIHYDROXY-2-QUINOLINECARBOXYLIC ACID
4,8-DIHYDROXYQUINALDIC ACID
4,8-DIHYDROXYQUINOLINE-2
4,8-DIHYDROXYQUINOLINE-2-CARBOXYLIC ACID
TIMTEC-BB SBB003498
XANTHURENIC ACID
XANTHURIC ACID
XENTHURENIC ACID
4,8-dihydroxy-2-quinolinecarboxylicaci
4,8-dihydroxy-quinaldicaci
4,8-dihydroxyquinaldinicacid
8-hydroxykynurenicacid
2-Quinolinecarboxylic acid, 4,8-dihydroxy-
XANTHURENIC ACID(RG)
4,8-DIHYDROXYQUINOLINE-2-CARBOXYLIC ACID 96%
XANTHURENIC ACID extrapure
4,8-Dihydroxyquinaldic acid, 4,8-Dihydroxyquinoline-2-carboxylic acid
[EINECS(EC#)]

200-410-1
[Molecular Formula]

C10H7NO4
[MDL Number]

MFCD00006754
[Molecular Weight]

205.17
[MOL File]

59-00-7.mol
Chemical PropertiesBack Directory
[Appearance]

ochre powder
[Melting point ]

297-298 °C (dec.)(lit.)
[Boiling point ]

343.83°C (rough estimate)
[density ]

1.3849 (rough estimate)
[refractive index ]

1.5600 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly, Heated), Water (Slightly, Heated)
[form ]

Powder
[pka]

1.20±0.30(Predicted)
[color ]

Ochre
[Merck ]

10068
[BRN ]

185954
[InChI]

1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
[InChIKey]

FBZONXHGGPHHIY-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(O)c2cccc(O)c2n1
[CAS DataBase Reference]

59-00-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 ]

UZ9275000
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Petroleum ether-->Toluene-->Sodium sulfate-->Magnesium sulfate-->Benzene-->Phosphoric acid-->Sodium bisulfite-->Potassium iodide-->Mineral oil-->o-Anisidine-->Hydriodic acid-->Hypophosphorous acid-->Diethyl oxalacetate sodium salt
[Preparation Products]

4,8-dihydroxyquinoline-->Ppc-1
Hazard InformationBack Directory
[Chemical Properties]

ochre powder
[Uses]

Xanthurenic acid can be used as a substrate for the synthesis of:
  • Silica-gel functionalized xanthurenic acid (4, 8-dihydroxyquinoline-2-carboxylic acid) as an adsorbent for metal ions.
  • N, N′-bis-((8-hydroxy-7-quinolinyl)methyl)-1,10-diaza-18-crown-6 ethers as fluorescent sensors of magnesium in living cells via one-pot Mannich reaction.
  • Poly-xanthurenic acid (poly-Xa) for biosensing applications.

[Uses]

caspase activator, guanylyl cyclase stimulant
[Uses]

Excreted by pyridoxine-deficient animals after the ingestion of tryptophan.
[Definition]

ChEBI: A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8.
[storage]

Room temperature
[Purification Methods]

It is precipitated by the addition of 2N formic acid to its solution in hot 2M ammonia (charcoal). The solid is filtered off, dried in a vacuum at ~80o in the dark. UV (H2O) has nm ( M-1cm-1): 243 (30,000) and 342 (6,500). The methyl ester has m 262o (from MeOH). It forms Cu2+, Zn2+, Fe2+ and Fe3+ salts. [Beilstein 22 III/IV 2513.]
Spectrum DetailBack Directory
[Spectrum Detail]

XANTHURENIC ACID(59-00-7)MS
XANTHURENIC ACID(59-00-7)1HNMR
XANTHURENIC ACID(59-00-7)13CNMR
XANTHURENIC ACID(59-00-7)IR1
XANTHURENIC ACID(59-00-7)IR2
XANTHURENIC ACID(59-00-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,8-Dihydroxyquinoline-2-carboxylic acid, 96%(59-00-7)
[Sigma Aldrich]

59-00-7(sigmaaldrich)
[TCI AMERICA]

Xanthurenic Acid,>95.0%(T)(59-00-7)
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