| Identification | More | [Name]
4-(Methylthio)benzaldehyde | [CAS]
3446-89-7 | [Synonyms]
4-ALDEHYDE THIOANISOLE
4-METHYLMERCAPTOBENZALDEHYDE
4-(METHYLTHIO)BENZALDEHYDE
(4-METHYLTHIOCYCLOHEXYL)METHANOL
AKOS BBS-00003173
METHYLMERCAPTOBENZALDEHYDE(4-)
MTAD
P-(METHYLTHIO)BENZALDEHYDE
4-(Methylsulfanyl)benzaldehyde
4-(methylthio)-benzaldehyd
p-Methylmercaptobenzaldehyde
4-(Methylthio)Benzaldehyde97%
4-Thioanisaldehyde
PARA-METHYLTHIOBENZALDEHYDE
4-(METHYLTHIO)BENZALDEHYDE/4-THIOANISALDEHYDE
4-(METHYLTHIO)BENZALDEHYDE 98+%
4-(METHYLTHIO)BENZALDEHYDE (4-ALDEHYDETHIOANISOLE)
Methyl 4-formylphenyl sulfide
Methyl(4-formylphenyl) sulfide | [EINECS(EC#)]
222-365-7 | [Molecular Formula]
C8H8OS | [MDL Number]
MFCD00006948 | [Molecular Weight]
152.21 | [MOL File]
3446-89-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
6 °C
| [Boiling point ]
86-90 °C1 mm Hg(lit.)
| [density ]
1.144 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.646(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [color ]
Clear yellow | [Specific Gravity]
1.144 | [Water Solubility ]
Not miscible in water. | [Sensitive ]
Stench | [BRN ]
636158 | [InChI]
1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 | [InChIKey]
QRVYABWJVXXOTN-UHFFFAOYSA-N | [SMILES]
[H]C(=O)c1ccc(SC)cc1 | [LogP]
2.24 at 30℃ | [CAS DataBase Reference]
3446-89-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzaldehyde, 4-(methylthio)-(3446-89-7) | [EPA Substance Registry System]
3446-89-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P271-P280 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 .
S7/9:Keep container tightly closed and in a well-ventilated place . | [RIDADR ]
UN 3334 | [WGK Germany ]
3
| [F ]
13 | [Hazard Note ]
Irritant/Stench | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29309070 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Uses]
4-(Methylthio)benzaldehyde is a building block for the synthesis of various pharmaceutical and biologically active compounds. It can be used for the synthesis of sulfur-containing terpyridine ligands. It is the intermediate for the synthesis of a class of pyrrole derivatives showing analgesic/anti-inflammatory activity. | [Synthesis Reference(s)]
Synthetic Communications, 24, p. 2665, 1994 DOI: 10.1080/00397919408010580 | [Synthesis]
In the standard synthetic method, diphenyl sulfoxide (2.2 g, 0.01 mol) is mixed with brominated silica (18.18 g, 40 mmol Br/g silica) in a nonprotonic solvent such as dichloromethane (2 mL) or carbon tetrachloride. The reaction was carried out at room temperature while atmospheric water needed to be removed for 5 min. Upon completion of the reaction, the product was separated by simple filtration, followed by evaporation of the solvent to give diphenyl sulfide in its pure state (yield 1.84 g, 99%). | [References]
[1] Synthetic Communications, 2007, vol. 37, # 22, p. 4079 - 4083
[2] Bulletin of the Korean Chemical Society, 2011, vol. 32, # 8, p. 2525 - 2526
[3] Tetrahedron Letters, 2009, vol. 50, # 49, p. 6872 - 6876
[4] Journal of Sulfur Chemistry, 2014, vol. 35, # 1, p. 7 - 13
[5] Journal of Sulfur Chemistry, 2017, vol. 38, # 6, p. 597 - 603 |
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