623-27-8
Product Name:
Terephthalaldehyde
Formula:
C8H6O2
Synonyms:
1,4-Benzenedicarbaldehyde, Terephthalaldehyde;Benzene-1,4-dicarboxaldehyde;Terephthaldialdehyde;Terephthaldicarboxaldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to cream crystalline powder; [Alfa Aesar MSDS] |
|---|---|
| Color/Form | Needles from water |
| Boiling Point | 246 °C |
| Melting Point | 117 °C |
| Flash Point | 76 °C (169 °F) - closed cup |
| Solubility | In water, 200 mg/L at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 1166 |
| Chemical Classes | Other Classes -> Benzaldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.13 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.036779430 g/mol |
| Monoisotopic Mass | 134.036779430 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 107 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |