| Identification | More | [Name]
4'-Methylthioacetophenone | [CAS]
1778-09-2 | [Synonyms]
1-[4-(METHYLSULFANYL)PHENYL]ETHANONE
1-[4-(methylthio)phenyl]ethan-1-one
1-[4-(METHYLTHIO)PHENYL]ETHANONE
4-(ACETYL)THIOANISOLE
4-METHYLMERCAPTOACETOPHENONE
4'-(METHYLTHIO)ACETOPHENONE
4-(METHYLTHIO)ACETOPHENONE
P-(METHYLTHIO)ACETOPHENONE
Ethanone, 1-[4-(methylthio)phenyl]-
4-(Methyl thio)
Ethanone,1-[4-(methylthio)
4-(METHYLTHIO)ACETOPHENONE 99%
4-THIOMETHYLACETOPHENONE
Dodecane-1-sulfonyl chloride
1-Acetyl-4-(methylthio)benzene
Methyl 4-acetylphenyl sulfide
Methyl(4-acetylphenyl) sulfide
p-Acetylthioanisole | [EINECS(EC#)]
217-213-1 | [Molecular Formula]
C9H10S | [MDL Number]
MFCD00039835 | [Molecular Weight]
150.24 | [MOL File]
1778-09-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powde | [Melting point ]
80-82 °C(lit.) | [Boiling point ]
135 °C | [density ]
1.1369 (rough estimate) | [refractive index ]
1.5600 (estimate) | [Fp ]
135°C/1mm | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [color ]
White to Off-White | [BRN ]
1860517 | [InChI]
InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 | [InChIKey]
JECUZQLBQKNEMW-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=C(SC)C=C1)C | [CAS DataBase Reference]
1778-09-2(CAS DataBase Reference) | [NIST Chemistry Reference]
4-CH3S-C6H4-COCH3(1778-09-2) | [EPA Substance Registry System]
1778-09-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HS Code ]
29309099 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystal powde | [Uses]
4′-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 73, p. 2857, 1951 DOI: 10.1021/ja01150a127
The Journal of Organic Chemistry, 56, p. 5955, 1991 DOI: 10.1021/jo00020a048 | [General Description]
4′-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported. It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst. |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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400-0056266 |
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Maya High Purity Chemicals
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