1,4-Naphthalenedicarboxylic Acid - CAS 605-70-9
Catalog: |
BB030738 |
Product Name: |
1,4-Naphthalenedicarboxylic Acid |
CAS: |
605-70-9 |
Synonyms: |
naphthalene-1,4-dicarboxylic acid; naphthalene-1,4-dicarboxylic acid |
IUPAC Name: | naphthalene-1,4-dicarboxylic acid |
Description: | 1,4-Naphthalenedicarboxylic Acid (CAS# 605-70-9) is a useful research chemical. |
Molecular Weight: | 216.19 |
Molecular Formula: | C12H8O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O |
InChI: | InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16) |
InChI Key: | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
Boiling Point: | 490.2±28.0 °C (Predicted) |
Melting Point: | 320 °C |
Purity: | > 95.0 % (T) |
Density: | 1.54 g/cm3 |
Appearance: | Light yellow to yellow to orange powder to crystal |
Storage: | Store under inert gas |
MDL: | MFCD00014312 |
LogP: | 2.23620 |
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 |
22832416 | 20120921 | Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid | Dalton transactions (Cambridge, England : 2003) |
22514027 | 20120501 | Microenvironmental control of enantiodifferentiating photocyclization of 5-hydroxy-1,1-diphenylpentene through selective solvation | Chirality |
21754678 | 20110601 | Bis[μ-1,2-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]disilver(I) bis-(4-carb-oxy-naphthalene-1-carboxyl-ate) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
21578583 | 20091107 | Poly[aqua-bis(μ(4)-naphthalene-1,4-di-carboxyl-ato)(1,10-phenanthroline-5,6-dione)dimanganese(II)] | Acta crystallographica. Section E, Structure reports online |
19726847 | 20090901 | A novel parallel interpenetrating two-dimensional (4,4) network: poly[[mu2-1,4-bis(imidazol-1-ylmethyl)benzene](mu2-naphthalene-1,4-dicarboxylato)zinc(II)] | Acta crystallographica. Section C, Crystal structure communications |
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: | 2.6 |
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