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Cas Database |
| Name |
4-(methylthio)benzaldehyde |
EINECS | 222-365-7 |
| CAS No. | 3446-89-7 | Density | 1.13 g/cm3 |
| PSA | 42.37000 | LogP | 2.22100 |
| Solubility | Not miscible in water. | Melting Point |
6 °C |
| Formula | C8H8OS | Boiling Point | 267 °C at 760 mmHg |
| Molecular Weight | 152.217 | Flash Point | 133.3 °C |
| Transport Information | N/A | Appearance | clear yellow liquid |
| Safety | 23-24/25-36-26-7/9 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzaldehyde,p-(methylthio)- (6CI,7CI,8CI);4-(Methylmercapto)benzaldehyde;4-Methanesulfanylbenzaldehyde;4-Methanethiobenzaldehyde;4-Methylsulfanylbenzaldehyde;Methyl 4-formylphenylthioether;p-(Methylthio)benzaldehyde; |
Article Data | 171 |
4-(methylthio)benzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With cobalt(II) nitrate hexahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; manganese (II) nitrate tetrahydrate; oxygen; acetic acid at 40℃; under 760.051 Torr; for 0.75h; | 100% |
| With N,N,N',N'-tetramethylguanidine In dichloromethane at 20℃; for 1h; | 99% |
| With hydrogenchloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium nitrite In dichloromethane; water at 20℃; under 760.051 Torr; for 11h; in air; | 99% |
- 37794-15-3
p-methylsulfinylbenzaldehyde
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With indium; tungsten(VI) chloride In tetrahydrofuran at 20℃; for 0.0833333h; | 95% |
| With niobium pentachloride; sodium iodide In acetonitrile at 20℃; for 0.0833333h; | 95% |
| With iododioxobis(triphenylphosphine)rhenium(V); phenylsilane In tetrahydrofuran at 20℃; for 2.25h; chemoselective reaction; | 92% |
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With H6P2W18O62 In toluene at 100℃; for 0.0833333h; | 95% |
- 13205-48-6
4-(methylthio)benzoic acid
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation; | 94% |
| With 2,6-dimethylpyridine; nickel(II) bromide trihydrate; phenylsilane; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; dimethyl dicarbonate In ethyl acetate at 60℃; for 24h; Schlenk technique; Inert atmosphere; | 72 %Chromat. |
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 1h; | 93% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide at 130℃; for 12h; Sealed tube; Inert atmosphere; | 92% |
| With copper(l) iodide; zinc(II) fluoride at 150℃; for 36h; Sealed tube; Under air; | 85% |
| With copper(l) iodide; zinc diacetate at 135℃; for 36h; regioselective reaction; | 70% |
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With iodosylbenzene In dichloromethane at 20℃; for 0.333333h; | 90% |
- 100-68-5
methyl-phenyl-thioether
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With trichlorophosphate at -5 - 45℃; for 7h; | 89.2% |
- 3446-89-7
4-(Methylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With 1,2,3-trimethoxybenzene; oxalyl dichloride In dichloromethane at 0℃; for 0.00166667h; Inert atmosphere; chemoselective reaction; | 89% |
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine; hydrogen; palladium diacetate; propyl di-tert-butylphosphinite In toluene at 100℃; under 3750.38 Torr; for 20h; Inert atmosphere; | 88% |
4-(methylthio)benzaldehyde Chemical Properties
Molecular Structure of 4-(methylthio)benzaldehyde (CAS NO.3446-89-7):
IUPAC Name: 4-methylsulfanylbenzaldehyde
CAS No: 3446-89-7
EINECS: 222-365-7
Molecular Formula: C8H8OS
Molecular Weight: 152.21 g/mol
Melting Point: 6 °C
Density: 1.13 g/cm3
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 42.37 Å2
Index of Refraction: 1.577
Molar Refractivity: 44.36 cm3
Molar Volume: 133.7 cm3
Surface Tension: 43.3 dyne/cm
Flash Point: 133.3 °C
Enthalpy of Vaporization: 50.5 kJ/mol
Boiling Point: 267 °C at 760 mmHg
Vapour Pressure: 0.00836 mmHg at 25°C
Product Categories: Aromatic Aldehydes & Derivatives (substituted)
InChI
InChI=1/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Smiles
O=Cc1ccc(SC)cc1
4-(methylthio)benzaldehyde Production
Product Categories about 4-(methylthio)benzaldehyde (3446-89-7) are Aromatic Aldehydes & Derivatives (substituted)
4-(methylthio)benzaldehyde Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26-7/9
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
WGK Germany: 3
F: 13
Hazard Note: Irritant/Stench
HS Code: 29309070
4-(methylthio)benzaldehyde Specification
4-(methylthio)benzaldehyde , with CAS number of 3446-89-7, can be called p-(Methylthio)benzaldehyde ; benzaldehyde, 4-(methylthio)- ; 4-(Methylsulfanyl)benzaldehyd . 4-(methylthio)benzaldehyde (CAS NO.3446-89-7) is stable under normaltemperatures and pressures.but incompatible with strong oxidizingagents. It is a clear yellow liquid.
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