CAS No.492-27-3,KYNURENIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	492-27-3
Name:	KYNURENIC ACID
Article Data:	25

Formula:	C₁₀H₇NO₃
Molecular Weight:	189.17
Synonyms:	Quinaldicacid, 4-hydroxy- (8CI);2-Carboxy-4-hydroxyquinoline;4-Hydroxyquinaldic acid;4-Hydroxyquinaldinic acid;4-Hydroxyquinoline-2-carboxylic acid;Kynurenicacid;NSC 58973;Quinurenic acid;
EINECS:	207-751-5
Density:	1.429 g/cm³
Melting Point:	275 °C (dec.)(lit.)
Boiling Point:	358.4 °C at 760 mmHg
Flash Point:	170.5 °C
Solubility:	Soluble in water (~0.9% at 100°C) or 100% ethanol (warm); also soluble in 0.1N NaOH or DMSO; insoluble in ether.
Appearance:	Off-white to tan powder.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	70.42000
LogP:	1.63860

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Specification

The 4-Hydroxyquinoline-2-carboxylic acid, with CAS registry number 492-27-3, belongs to the following product categories: (1)Quinolines, Quinazolines and derivatives; (2)Quinoline&Isoquinoline; (3)Hydroxyquinolines; (4)Quinolines; (5)Glutamate receptor; (6)Glutamate. It has the systematic name of 4-oxo-1,4-dihydroquinoline-2-carboxylic acid.

Physical properties of 4-Hydroxyquinoline-2-carboxylic acid: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 18.87×10^-24cm³; (17)Surface Tension: 62.5 dyne/cm; (18)Enthalpy of Vaporization: 63.72 kJ/mol; (19)Vapour Pressure: 9.28E-06 mmHg at 25°C.

Uses of 4-Hydroxyquinoline-2-carboxylic acid: it can be used to produce 4-bromo-quinoline-2-carboxylic acid. This reaction will need reagents P₂O₅, Bu₄NBr and solvent toluene. The reaction time is 1.5 hour(s) with reaction temperature of 100 ℃. The yield is about 58%.

When you are using this chemical, please be cautious about it as the following:
The 4-Hydroxyquinoline-2-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)NC(=C/2)/C(=O)O
(2)InChI: InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
(3)InChIKey: HCZHHEIFKROPDY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
(5)Std. InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N