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5323-57-9

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5323-57-9 Structure

5323-57-9 Structure

Identification	Back Directory
[Name] QUINOLINE-2,4-DICARBOXYLIC ACID
[CAS] 5323-57-9
[Synonyms] AKOS BC-0591 2,4-QUINOLINEDICARBOXYLIC ACID QUINOLINE-2,4-DICARBOXYLIC ACID QUINOLINE-2,4-DICARBOXYLIC ACID FOR SYNT QUINOLINE-2,4-DICARBOXYLIC ACID ISO 9001：2015 REACH
[Molecular Formula] C11H7NO4
[MDL Number] MFCD01025809
[MOL File] 5323-57-9.mol
[Molecular Weight] 217.18

Chemical Properties	Back Directory
[Melting point ] 236 °C (decomp)
[Boiling point ] 451.4±35.0 °C(Predicted)
[density ] 1.531±0.06 g/cm3(Predicted)
[storage temp. ] 2-30°C
[form ] solid
[pka] 2.14±0.10(Predicted)
[InChI] 1S/C11H7NO4/c13-10(14)7-5-9(11(15)16)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)(H,15,16)
[InChIKey] JPGZDTDZZDLVHW-UHFFFAOYSA-N
[SMILES] n1c2c(c(cc1C(=O)O)C(=O)O)cccc2

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[Hazard Codes ] Xi
[WGK Germany ] WGK 1
[HazardClass ] IRRITANT
[HS Code ] 2933490090
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Synthesis Reference(s)] Journal of Medicinal Chemistry, 45, p. 2260, 2002 DOI: 10.1021/jm010261z

Spectrum Detail	Back Directory
[Spectrum Detail] QUINOLINE-2,4-DICARBOXYLIC ACID(5323-57-9)MS QUINOLINE-2,4-DICARBOXYLIC ACID(5323-57-9)IR1 QUINOLINE-2,4-DICARBOXYLIC ACID(5323-57-9)IR2

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