Isophthalaldehyde - CAS 626-19-7
Catalog: |
BB031692 |
Product Name: |
Isophthalaldehyde |
CAS: |
626-19-7 |
Synonyms: |
1,3-Benzenedicarboxaldehyde; 1,3-Benzenedialdehyde; 1,3-Diformylbenzene; 3-Formylbenzaldehyde; Isophthal; Isophthaldehyde; Isophthaldialdehyde; LA 5D; m-Benzenedialdehyde; m-Benzenedicarbaldehyde; m-Benzenedicarboxaldehyde; m-Diformylbenzene; m-Formylbenzaldehyde; m-Phthalaldehyde; NSC 5092 |
IUPAC Name: | benzene-1,3-dicarbaldehyde |
Molecular Weight: | 134.13 |
Molecular Formula: | C8H6O2 |
Canonical SMILES: | C1=CC(=CC(=C1)C=O)C=O |
InChI: | InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H |
InChI Key: | IZALUMVGBVKPJD-UHFFFAOYSA-N |
Boiling Point: | 246°C |
Melting Point: | 89.5°C |
Density: | 1.189±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Colourless or light yellow crystals |
Decomposition: | Hazardous decomposition products formed under fire conditions - carbon oxides |
MDL: | MFCD00003372 |
LogP: | 1.31160 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 7.91X10-3 mm Hg at 25 °C (est) |
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 |
22147022 | 20120501 | A new bis(rhodamine)-based fluorescent chemosensor for Fe3+ | Journal of fluorescence |
21732585 | 20110801 | Ligand influence over the formation of dinuclear [2+2] versus trinuclear [3+3] Cu(I) Schiff base macrocyclic complexes | Inorganic chemistry |
21837052 | 20110701 | 1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene | Acta crystallographica. Section E, Structure reports online |
19739646 | 20100115 | Fluoride: solution- and solid-state structural binding probe | The Journal of organic chemistry |
22331998 | 20100101 | Synthesis and Characterization of New Optically Active Poly (ethyl L-lysinamide)s and Poly (ethyl L-lysinimide)s | Journal of amino acids |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.036779430 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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