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Quinolinic acid structure
Quinolinic acid structure

Quinolinic acid

Iupac Name:pyridine-2,3-dicarboxylic acid
CAS No.: 89-00-9
Molecular Weight:167.12
Modify Date.: 2022-11-06 21:38
Introduction: Quinolinic acid is an endogenous N-methyl-D-aspartate receptor agonist synthesized from L-tryptophan via the kynurenine pathway and thereby has the potential of mediating N-methyl-D-aspartate neuronal damage and dysfunction. View more+
1. Names and Identifiers
1.1 Name
Quinolinic acid
1.2 Synonyms

2,3-pyridine dicarbo 2,3-Pyridinedicarboxylic 2,3-PYRIDINEDICARBOXYLIC ACID 2,3-PYRIDINEDICARBOXYLIC ACID (QUINOLINIC ACID) AKOS BBS-00003814 EINECS 201-874-8 MFCD00006295 Pyridin-2,3-dicarbonsaeure Pyridine-2,3-dicarboxylic acid T6NJ BVQ CVQ UNII-F6F0HK1URN

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1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C7H5NO4 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
2.1 Boiling point
425 °C at 760 mmHg
2.1 Refractive index
1.6280 (estimate)
2.1 Flash Point
210.9 °C
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
2.2 Appearance
White solid.
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
White powder;Light yellow powder
2.5 Color/Form
Monoclinic crystals from water
2.6 Odor
2.7 Physical
2.8 pKa
2.43(at 25℃)
2.9 Water Solubility
0.55 g/100 mL
2.10 Spectral Properties
UV: 11493 (Sadtler Research Laboratories spectral collection)
IR: 8439 (Sadtler Research Laboratories IR grating collection)
1H NMR: 6824 (Sadtler Research Laboratories spectral collection)
MASS: 42456 (NIST/EPA/MSDC Mass Spectral database, 1990 version)
2.11 Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
2.12 StorageTemp
Keep in dark place,Sealed in dry,Room Temperature
3. Use and Manufacturing
3.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 82 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (26.83%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (78.05%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.56%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
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3.2 Methods of Manufacturing
Preparation: S. Hoogewerff, W. A. van Dorp, Ber. 12, 747 (1879); W. Koenigs, ibid. 983; O. fischer, E. Renouf, ibid. 17, 755 (1884); E. Sucharda, ibid. 58B, 1727(1925); v. Yu. Stiks, S. A. Bulgach, ibid. 65B, 11 (1932); A.F. Lindenstruth, C.A. VanderWerf, J. Am. Chem. Soc. 71, 3020 (1949).
3.3 Usage
Inhibits glucose synthesis
4. Safety and Handling
4.1 Symbol
4.1 Hazard Codes
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Octanol/Water Partition Coefficient
log Kow = -0.12 (est)
4.2 Hazard Class
4.2 Hazard Declaration
4.2 DisposalMethods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
4.3 Safety Profile
A poison by skin contact. Moderately toxic by ingestion. Experimental reproductive effects. A mdd skinn irritant. When heated to decomposition it emits toxic vapors of NOx. Quinolinic acid Preparation Products And Raw materials Preparation Products
4.4 Caution Statement
P305 + P351 + P338
4.4 WGK Germany
4.4 Report

Reported in EPA TSCA Inventory.

4.5 Safety

A poison by skin contact. Moderately toxic by ingestion. Experimental reproductive effects. A mild skinn irritant. When heated to decomposition it emits toxic vapors of NOx.
Hazard Symbols:?IrritantXi
Risk Codes: R36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description: S24/25
S24/25:Avoid contact with skin and eyes.

4.6 Specification

? Quinolinic acid , with CAS number of 89-00-9, can be called pyridine-2,3-carboxylate ; 2,3-Pyridinedicarboxylic acid, copper(2+) salt (1:1) ; 2,3-pyridinedicarboxylic acid ; Quinolinate ; 2,3-pyridinedicarboxylate ; 2, 3-Pyridinedicarboxylic acid ; pyridine-2,3-dicarboxylate; strontium(+2) cation ; 2,3-Pyridinedicarboxylic acid, strontium salt ; pyridine-2,3-dicarboxylic acid ; Pyridine-2,3-DicarboxylicI acid 99% ; 2,3-pyridine dicarboxylic acid ; Quinolinic Acid 99% .

4.7 Toxicity
1. ???

skn-rbt 500?mg/24H MLD

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0540157 .
2. ???

orl-rat LD50:>500?mg/kg

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0540157 .
3. ???

skn-rbt LD50:>200?mg/kg

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0540157 .
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2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Merck
9.1 BRN
9.2 Chemical Properties
White powder;Light yellow powder
9.3 Uses
Inhibits glucose synthesis
9.4 Uses
An inhibitor of glucose synthesis.
9.5 Uses
A matabolite of tryptophan and a putative NMDA receptor agonist.
9.6 Synthesis Reference(s)
Journal of the American Chemical Society, 71, p. 3020, 1949 DOI: 10.1021/ja01177a021
9.7 Hazard
A poison by skin contact. Moderately toxic by ingestion. A mild skin irritant.
9.8 Industrial uses
The use of quinolinic acid during flotation of hematite results in the adsorption of quinoline on hematite, allowing amine to selectively adsorb onto the hematite surface.
9.9 Biological Activity
Endogenous NMDA agonist and transmitter candidate. May distinguish between NMDA receptor subtypes.
9.10 Safety Profile
A poison by skin contact. Moderately toxic by ingestion. Experimental reproductive effects. A mdd skinn irritant. When heated to decomposition it emits toxic vapors of NOx.
9.11 Usage
Quinolinic acid is an endogenous NMDA agonist. Quinolinic acid is a metabolite of tryptophan that acts as a putative NMDA receptor agonist. Quinolinic acid is an ?excitotoxic? metabolite and an agonist of N-methyl-D-aspartate receptors. properties of KYNA raise the possibility of a functional link between KYNA and QUIN in the brain which may be of relevance for an understanding of human neurodegenerative disorders. Quinolinic acid is a potent endogenous excitant at amino acid receptors in CNS.
10. Computational chemical data
  • Molecular Weight: 167.12g/mol
  • Molecular Formula: C7H5NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 0.2
  • Exact Mass: 167.02185764
  • Monoisotopic Mass: 167.02185764
  • Complexity: 204
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 87.5
  • Heavy Atom Count: 12
  • 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
11. Question & Answer
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  • Although our lives are filled with chemicals, these chemicals are usually only part of a product and do not come into direct contact with us. As a result, we often have little knowledge about them. Fo..
  • Quinolinic acid is a chemical substance that many people are unfamiliar with. It has the ability to inhibit glucose synthesis. Glucose, also known as dextrose, is commonly used as an injectable nutrie..
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13. Realated Product Infomation