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| CAS No.: | 626-19-7 |
|---|---|
| Name: | m-Phthalaldehyde |
| Molecular Structure: | |
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| Formula: | C8H6O2 |
| Molecular Weight: | 134.134 |
| Synonyms: | Isophthalaldehyde(6CI,7CI,8CI);1,3-Benzenedialdehyde;1,3-Diformylbenzene;3-Formylbenzaldehyde;Benzene-1,3-dicarbaldehyde;Isophthaldehyde;Isophthaldialdehyde;NSC 5092;m-Benzenedialdehyde;m-Benzenedicarbaldehyde;m-Benzenedicarboxaldehyde;m-Diformylbenzene;m-Formylbenzaldehyde; |
| EINECS: | 210-935-8 |
| Density: | 1.189 g/cm3 |
| Melting Point: | 87-88 °C(lit.) |
| Boiling Point: | 255.3 °C at 760 mmHg |
| Flash Point: | 94.1 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | colourless or light yellow crystals |
| Safety: | 22-24/25 |
| PSA: | 34.14000 |
| LogP: | 1.31160 |
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| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; molecular sieve In hexane for 3h; Heating; | 98% |
| With manganese(II) nitrate; C70H128N16O4; oxygen; copper(II) nitrate In acetic acid at 20℃; for 4h; Mechanism; | 90% |
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl In ethyl acetate; toluene at 0℃; | 83% |
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- 626-19-7
Isophthalaldehyde
| Conditions | Yield |
|---|---|
| With ethanol at 50 - 60℃; for 0.0833333h; | 95% |
| With rice husk supported FeCl3 nanoparticles In ethanol at 70℃; for 0.583333h; | 90% |
| With N-sulfonic acid poly(4-vinylpyridinium) chloride In methanol at 20℃; for 0.583333h; | 87% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In acetonitrile at 85℃; for 4h; Reagent/catalyst; Temperature; | 94% |
| With C15H11ClN4SZn; p-benzoquinone In tert-butyl alcohol for 8h; Reagent/catalyst; | 72% |
| With tert.-butylhydroperoxide; C29H25Cl2N4Ru(1+)*F6P(1-) In acetonitrile at 60℃; for 3h; Schlenk technique; Inert atmosphere; | 62% |
| Conditions | Yield |
|---|---|
| With oxygen; potassium carbonate; palladium diacetate In N,N-dimethyl acetamide at 100℃; under 760.051 Torr; for 12h; | A 93% B 3% |
| With cucurbit[8]uril; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water for 0.0833333h; Catalytic behavior; Reagent/catalyst; Temperature; Reflux; | A 41% B 43% |
| With manganese(IV) oxide In tetrahydrofuran at 45℃; Rate constant; k2/k1; |
| Conditions | Yield |
|---|---|
| With bis-{4-methoxy-phenyl}-selenoxyde; sodium hydrogencarbonate In acetonitrile at 75℃; for 5h; | 90% |
| Stage #1: 1,3-bis-(bromomethyl)benzene With 2-nitropropane; sodium methylate In methanol; ethyl acetate at 30℃; for 6h; Stage #2: With water In methanol; ethyl acetate | 25.8% |
| With hydrogenchloride; hexamethylenetetramine; acetic acid | |
| Multi-step reaction with 2 steps 2: aqueous NaOH View Scheme |
- 626-19-7
Isophthalaldehyde
| Conditions | Yield |
|---|---|
| With potassium carbonate In isopropyl alcohol for 1.5h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With pentacoordinated hydrogenosilane 1 | 89% |
| With sodium tris(tert-butoxo)aluminium hydride In tetrahydrofuran; diethylene glycol dimethyl ether at -78℃; for 3h; | 88% |
| With lithium tri-t-butoxyaluminum hydride | |
| Multi-step reaction with 2 steps 1: triethylsilane; triethylamine / tetrahydrofuran / 1 h / 20 °C 2: triethylsilane / tetrahydrofuran / 1 h View Scheme |
- 626-19-7
Isophthalaldehyde
| Conditions | Yield |
|---|---|
| With triethylsilane In tetrahydrofuran for 1h; Reagent/catalyst; Fukuyama Reduction; | 89% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-dibromobenzene With tert.-butyl lithium In pentane at -78℃; for 1h; Inert atmosphere; Schlenk technique; Stage #2: N,N-dimethyl-formamide In pentane at -78 - 20℃; Inert atmosphere; Schlenk technique; | 88% |
- 626-19-7
Isophthalaldehyde
| Conditions | Yield |
|---|---|
| With sulfonated rice husk ash In acetonitrile at 60℃; for 0.166667h; | 87% |
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Chemistry
Molecular Structure of Isophthalaldehyde (CAS NO.626-19-7):
IUPAC Name: benzene-1,3-dicarbaldehyde
Molecular formula: C8H6O2
Molecular Weight: 134.13
EINECS: 210-935-8
Melting point: 87-88 °C(lit.)
Boiling Point: 255.3 °C at 760 mmHg
Flash Point: 94.1 °C
Index of Refraction: 1.622
Molar Refractivity: 39.75 cm3
Molar Volume: 112.7 cm3
Polarizability: 15.76 10-24 cm3
Surface Tension: 48.3 dyne/cm
Density: 1.189 g/cm3
Enthalpy of Vaporization: 49.28 kJ/mol
Vapour Pressure: 0.0164 mmHg at 25°C
Sensitive: Air Sensitive
BRN: 1561038
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Appearance: colourless or light yellow crystals
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07922, | |
| mouse | LDLo | unreported | 696mg/kg (696mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 851, 1958. |
Safety Profile
Poison by intravenous route. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.
The Safety Statements information of Isophthalaldehyde (CAS NO.626-19-7):
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
WGK Germany: 3
RTECS: NT1981000
HS Code: 29122900
Specification
Isophthalaldehyde , with CAS number of 626-19-7, can be called 1,3-Benzenedicarboxaldehyde (9CI) ; 1,3-benzenedicarboxaldehyde ; Benzol-1,3-dicarbaldehyd . It is a colourless or light yellow crystal. Isophthalaldehyde (CAS NO.626-19-7) is used for pharmaceutical intermediates, fluorescent brighteners, etc.