CAS 89-00-9 Quinolinic Acid - Materials / Alfa Chemistry

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Monomers

Quinolinic Acid

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Catalog Number

ACM89009

Product Name

Quinolinic Acid

Structure

CAS

89-00-9

Category

Monomers

Synonyms

Pyridin-2,3-dicarbonsaeure

Description

DryPowder;Solid

IUPAC Name

Pyridine-2,3-dicarboxylic acid

Molecular Weight

167.12

Molecular Formula

C7H5NO4

Canonical SMILES

C1=CC(=C(N=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

InChI Key

GJAWHXHKYYXBSV-UHFFFAOYSA-N

Boiling Point

295.67 °C

Melting Point

188-190 °C(lit.)

Flash Point

210.9 °C

Purity

98%

Density

1.5216 g/cm³

Solubility

Slightly soluble in trifluoroacetic acid, insoluble in ethanol

Appearance

Crystalline powder

Storage

Keep in dark place, sealed in dry, room temperature

Color/Form

Crystals;Monoclinic crystals from water

Complexity

204

Covalently-Bonded Unit Count

EC Number

201-874-8

Exact Mass

167.02185764

Formal Charge

Hazard Statements

Heavy Atom Count

Log P

log Kow = -0.12 (est)

MeSH Entry Terms

Quinolinate;Quinolinic Acid;Quinolinic Acid, Copper(2+) Salt;Quinolinic Acid, Disodium Salt;Quinolinic Acid, Strontium Salt

Monoisotopic Mass

167.02185764

NSC Number

403247;18836;13127

Odor

Odorless

Other Experimental

190 °C when rapidly heated, with decomposition into CO2 and nicotinic acid;Henry's Law constant = 2.86X10-15 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.08X10-12 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.628

Rotatable Bond Count

Safety Description

26-36/37-24/25-37

Supplemental Hazard Statements

H315-H319-H335

Topological Polar Surface Area

87.5 Å²

UNII

F6F0HK1URN

Vapor Pressure