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Cas Database |
| Name |
1,4-Phthalaldehyde |
EINECS | 210-784-8 |
| CAS No. | 623-27-8 | Density | 1.189 g/cm3 |
| PSA | 34.14000 | LogP | 1.31160 |
| Solubility | 3 g/L (50 °C) in water | Melting Point |
114-116 °C(lit.) |
| Formula | C8H6O2 | Boiling Point | 246.5 °C at 760 mmHg |
| Molecular Weight | 134.134 | Flash Point | 101.7 °C |
| Transport Information | N/A | Appearance | white to light yellow crystalline powder |
| Safety | 22-24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Terephtaldehyde;Terephthalic aldehyde;Terephthaldialdehyde;Terephtaldehydes [French];4-Formylbenzaldehyde;Terephthaladehyde (8CI);p-Formylbenzaldehyde;p-Phthalaldehyde;Terephthaladehyde;p-Benzenedicarboxaldehyde;benzene-1,4-dicarbaldehyde;1,4-Benzenedicarboxaldehyde;Terephthaldehyde;1,4-Diformylbenzene;Terephthaldicarboxaldehyde; |
Article Data | 271 |
1,4-Phthalaldehyde Synthetic route
- 81172-89-6
terephthalaldehyde mono(diethylacetal)
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In water at 30℃; for 0.0833333h; | 100% |
| With erbium(III) triflate In nitromethane at 20℃; for 1.5h; | 99% |
| With water at 80℃; for 0.25h; microwave irradiation; | 99% |
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; molecular sieve In hexane for 3h; Heating; | 99% |
| With dihydrogen peroxide In water at 100℃; for 5.5h; chemoselective reaction; | 99% |
| With 1-methyl-1H-imidazole; copper(I) oxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In acetonitrile at 25℃; for 24h; | 99% |
- 10028-70-3
disodium terephthalate
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 3h; Ambient temperature; | 99% |
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 3h; Ambient temperature; | 99% |
| Conditions | Yield |
|---|---|
| With sodium tris(tert-butoxo)aluminium hydride In tetrahydrofuran; diethylene glycol dimethyl ether at -78℃; for 3h; | 98% |
| With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium(0) In benzene for 0.166667h; Ambient temperature; | 87% |
| With tri-n-butyl-tin hydride In 1-methyl-pyrrolidin-2-one at 20℃; Inert atmosphere; | 86% |
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| With zinc(II) chloride; trimethyl orthoformate at 80℃; for 0.0833333h; Mechanism; Reagent/catalyst; | 98% |
| With benzaldehyde dimethyl acetal; zinc(II) chloride In 2,2,4-trimethylpentane at 80℃; for 1h; | 83% |
| Multi-step reaction with 2 steps 1: sulfuric acid / 24 h / 20 °C 2: zinc(II) chloride / 1 h / 50 °C View Scheme |
- 103781-93-7
4-(dimethoxymethyl)benzenecarbaldehyde
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 80℃; for 1h; | 98% |
| Conditions | Yield |
|---|---|
| With C13H26B(1-)*K(1+) In tetrahydrofuran for 24h; Ambient temperature; | 97% |
| With sodium triethoxyalanate | |
| With diisobutylaluminium hydride |
- 623-27-8
terephthalaldehyde,
| Conditions | Yield |
|---|---|
| With zinc(II) chloride In neat (no solvent) at 50℃; for 1h; | 96% |
| With zinc(II) chloride In neat (no solvent) at 50℃; for 1h; | 96% |
| With zinc(II) chloride at 50℃; for 1h; | 96% |
| Conditions | Yield |
|---|---|
| With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h; | 95% |
| With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 6h; Ambient temperature; | 92% |
| With palladium(II) acetylacetonate; hydrogen; 2,2-dimethylpropanoic anhydride; dicyclohexylphenylphosphine In tetrahydrofuran at 80℃; under 3750.38 Torr; for 20h; Inert atmosphere; | 85% |
1,4-Phthalaldehyde Chemical Properties
Molecular Structure of 1,4-Phthalaldehyde (CAS NO.623-27-8):
.png)
IUPAC Name: terephthalaldehyde
Empirical Formula: C8H6O2
Molecular Weight: 134.132
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 34.14 Å2
Index of Refraction: 1.622
Molar Refractivity: 39.75 cm3
Molar Volume: 112.7 cm3
Surface Tension: 48.3 dyne/cm
Density: 1.189 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 48.36 kJ/mol
Boiling Point: 246.5 °C at 760 mmHg
Vapour Pressure: 0.027 mmHg at 25°C
EINECS: 210-784-8
Melting point: 114-116 °C(lit.)
Water Solubility: 3 g/L (50 oC)
Sensitive: Air Sensitive
InChI
InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
Smiles
c1(ccc(C=O)cc1)C=O
EINECS: 210-784-8
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research
1,4-Phthalaldehyde Toxicity Data With Reference
| 1. | unr-mus LDLo:1154 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 246 (1958),851. |
1,4-Phthalaldehyde Consensus Reports
Reported in EPA TSCA Inventory.
1,4-Phthalaldehyde Safety Profile
Moderately toxic by an unspecified route. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
The Hazard Codes of 1,4-Phthalaldehyde (CAS NO.623-27-8): 
Xi
The Risk Statements information:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
24/25: Avoid contact with skin and eyes
WGK Germany: 1
1,4-Phthalaldehyde Specification
1,4-Phthalaldehyde , with CAS number of 623-27-8, can be called 1,4-Benzenedicarboxaldehyde ; benzene-1,4-dicarbaldehyde ; Benzol-1,4-dicarbaldehyd ; Terephthalaldehyde . It is a white to light yellow crystalline powder.
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