2,3-Naphthalenedicarboxylic acid - CAS 2169-87-1
Catalog: |
BB017094 |
Product Name: |
2,3-Naphthalenedicarboxylic acid |
CAS: |
2169-87-1 |
Synonyms: |
naphthalene-2,3-dicarboxylic acid |
IUPAC Name: | naphthalene-2,3-dicarboxylic acid |
Description: | 2,3-Naphthalenedicarboxylic acid (CAS# 2169-87-1) is a compound useful in organic synthesis. |
Molecular Weight: | 216.19 |
Molecular Formula: | C12H8O4 |
Canonical SMILES: | C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
InChI Key: | KHARCSTZAGNHOT-UHFFFAOYSA-N |
Boiling Point: | 316.6 °C (rough estimate) |
Melting Point: | 246 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.3023 (rou gh estimate) |
Appearance: | White to almost white powder to crystal |
MDL: | MFCD00004104 |
LogP: | 2.23620 |
Refractive Index: | 1.7080 (estimate) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21431216 | 20110507 | Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties | Dalton transactions (Cambridge, England : 2003) |
18312570 | 20080801 | Degradation of phenanthrene and anthracene by Nocardia otitidiscaviarum strain TSH1, a moderately thermophilic bacterium | Journal of applied microbiology |
11281755 | 20010406 | Synthesis and characterization of coronanes: multicyclopropane-fused macrocyclic arrays | The Journal of organic chemistry |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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