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CAS No.: | 613-45-6 |
---|---|
Name: | 2,4-Dimethoxybenzaldehyde |
Article Data: | 164 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Benzaldehyde, 2,4-dimethoxy-; |
EINECS: | 210-342-4 |
Density: | 1.114 g/cm3 |
Melting Point: | 67-69 °C(lit.) |
Boiling Point: | 307.8 °C at 760 mmHg |
Flash Point: | 124.7 °C |
Solubility: | insoluble in water |
Appearance: | white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 35.53000 |
LogP: | 1.51630 |
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 0.0333333h; Microwave irradiation; | 100% |
With C6H4MoNO7(1-)*C19H42N(1+); oxygen In water at 100℃; for 18h; Green chemistry; chemoselective reaction; | 98% |
With Merrifield's resin-bound N-aminoimidazolium chlorochromate In dichloromethane for 6.3h; Heating; | 97% |
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With caro's acid; silica gel In dichloromethane for 0.0833333h; Heating; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone Heating; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 3.5h; | 95% |
With potassium carbonate In acetone for 2.5h; Reflux; | 94% |
Conditions | Yield |
---|---|
With benzyltriphenylphosphonium peroxodisulfate In acetonitrile for 0.166667h; Heating; | 98% |
With potassium permanganate; montmorillonite K-10 for 0.25h; | 96% |
With (Bu4N)2S2O8 In 1,2-dichloro-ethane at 80℃; for 0.5h; oxidative cleavage; | 90% |
With tribromo-isocyanuric acid In acetonitrile at 20℃; for 4h; | 78% |
2-(2',4'-dimethoxyphenyl)-1,3-dithiane
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-[2',4'-dimethoxyphenyl]-1,3-dithiane With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: With water In dichloromethane at 0 - 20℃; for 0.5h; | 97% |
2,4-dimethoxybenzaldehyde phenylhydrazone
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With potassium permanganate; montmorillonite K-10 for 0.25h; | 96% |
2,4-dimethoxybenzyl phenylacetate
A
phenylacetic acid
B
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane for 18h; Ambient temperature; Yields of byproduct given; | A 95% B n/a |
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-(2,4-dimethoxy-phenyl)-[1,3]oxathiolane With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: With water In dichloromethane at 0 - 20℃; for 0.25h; | 95% |
With ammonium bromide; dihydrogen peroxide; vanadia In dichloromethane at 0 - 5℃; for 1.25h; | 85% |
With perchloric acid; dihydrogen peroxide; ammonium bromide; molybdic acid In dichloromethane at 0 - 5℃; for 2.5h; | 80% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water; acetonitrile at 25℃; for 10h; UV-irradiation; | 95% |
With potassium 12-tungstocobaltate(III) In water; acetonitrile for 0.25h; Microwave irradiation; | 88% |
2,4-dimethoxybenzaldoxime
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With silica gel; iron(III) chloride for 0.00833333h; microwave irradiation; | 93% |
With (Bu4N)2S2O8 In 1,2-dichloro-ethane for 1h; Heating; | 91.8% |
With pyridinium chlorochromate at 20℃; for 4.5h; | 90% |
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The molecular structure of 2,4-Dimethoxybenzaldehyde (CAS NO.613-45-6):
IUPAC Name: 2,4-Dimethoxybenzaldehyde
Molecular Weight: 166.1739 g/mol
Molecular Formula: C9H10O3
Density: 1.114 g/cm3
Melting Point: 67-69 °C(lit.)
Boiling Point: 307.8 °C at 760 mmHg
Flash Point: 124.7 °C
Index of Refraction: 1.534
Molar Refractivity: 46.36 cm3
Molar Volume: 149.1 cm3
Surface Tension: 36.1 dyne/cm
Enthalpy of Vaporization: 54.84 kJ/mol
Vapour Pressure: 0.00071 mmHg at 25 °C
Water Solubility: insoluble
Sensitive: air sensitive
XLogP3: 1.7
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 166.062994
MonoIsotopic Mass: 166.062994
Topological Polar Surface Area: 35.5
Heavy Atom Count: 12
Canonical SMILES: COC1=CC(=C(C=C1)C=O)OC
InChI: InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3
InChIKey: LWRSYTXEQUUTKW-UHFFFAOYSA-N
EINECS: 210-342-4
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aromatics; Aldehydes; C9; Carbonyl Compounds
2,4-Dimethoxybenzaldehyde (CAS NO.613-45-6) is a component of hair dyes. It also can be used as pharmaceutical intermediate.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HS Code: 29124900
2,4-Dimethoxybenzaldehyde (CAS NO.613-45-6) is also named as AI3-21269 ; NSC 27023 ; Benzaldehyde, 2,4-dimethoxy- . 2,4-Dimethoxybenzaldehyde (CAS NO.613-45-6) is white solid.