Terephthalaldehyde - CAS 623-27-8
Catalog: |
BB031532 |
Product Name: |
Terephthalaldehyde |
CAS: |
623-27-8 |
Synonyms: |
terephthalaldehyde |
IUPAC Name: | terephthalaldehyde |
Description: | Terephthalaldehyde (CAS# 623-27-8) is a compound useful in organic synthesis. |
Molecular Weight: | 134.13 |
Molecular Formula: | C8H6O2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)C=O |
InChI: | InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H |
InChI Key: | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
Boiling Point: | 245-248 °C |
Melting Point: | 114-116°C |
Flash Point: | 76°C |
Purity: | 99 % |
Density: | 1.189 g/cm3 |
Appearance: | White to light yellow crystalline powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00006949 |
LogP: | 1.31160 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 4.02X10-3 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H302 (45.45%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22954335 | 20121002 | In situ STM investigation of aromatic poly(azomethine) arrays constructed by 'on-site' equilibrium polymerization | Langmuir : the ACS journal of surfaces and colloids |
22548484 | 20120614 | Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid | The journal of physical chemistry. A |
22590315 | 20120501 | (E,E)-N'-{4-[(2-Benzoyl-hydrazin-1-yl-idene)meth-yl]benzyl-idene}benzo-hydrazide | Acta crystallographica. Section E, Structure reports online |
22468649 | 20120420 | Building blocks for oligospiroketal (OSK) Rods and evaluation of their influence on rod rigidity | The Journal of organic chemistry |
22259584 | 20120101 | (E)-2-[(1-Benzyl-piperidin-4-yl)imino-meth-yl]phenol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 107 |
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: | 0.9 |
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