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| CAS No.: | 623-27-8 |
|---|---|
| Name: | Terephthalaldehyde |
| Article Data: | 271 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6O2 |
| Molecular Weight: | 134.134 |
| 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; |
| EINECS: | 210-784-8 |
| Density: | 1.189 g/cm3 |
| Melting Point: | 114-116 °C(lit.) |
| Boiling Point: | 246.5 °C at 760 mmHg |
| Flash Point: | 101.7 °C |
| Solubility: | 3 g/L (50 °C) in water |
| Appearance: | white to light yellow crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 34.14000 |
| LogP: | 1.31160 |
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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% |
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Chemistry
Molecular Structure of 1,4-Phthalaldehyde (CAS NO.623-27-8):
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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
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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
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.