Online Database of Chemicals from Around the World
| Achemica | Switzerland | |||
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+41 (24) 466-2929 | |||
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contact@achemica.com | |||
| Chemical manufacturer since 2010 | ||||
| Alfa Aesar. | USA | |||
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+1 (978) 521-6300 | |||
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info@alfa.com | |||
| Chemical manufacturer | ||||
| Florida Center for Heterocyclic Compounds | USA | |||
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+1 (352) 392-0554 | |||
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katritzky@chem.ufl.edu | |||
| Chemical manufacturer | ||||
| Classification | Chemical reagent >> Organic reagent >> Sulfone, sulfoxide compound |
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| Name | 1-Methyl-4-{[(Methylsulfanyl)Methyl]Sulfonyl}Benzene |
| Synonyms | 4-[(Methylthio)methylsulfonyl]toluene; 4-Methylphenyl (methylsulfanyl)methyl sulfone #; Methylthiomethylp-tolylsulfone |
| Molecular Structure | ![CAS#: 59662-68-9， 1-Methyl-4-{[(Methylsulfanyl)Methyl]Sulfonyl}Benzene](/moreStructures/59662-68-9.gif) |
| Molecular Formula | C9H12O2S2 |
| Molecular Weight | 216.32 |
| CAS Registry Number | 59662-68-9 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CSC |
| InChI | 1S/C9H12O2S2/c1-8-3-5-9(6-4-8)13(10,11)7-12-2/h3-6H,7H2,1-2H3 |
| InChIKey | XAARLLNXZJTFPQ-UHFFFAOYSA-N |
| Density | 1.2±0.1g/cm3 (Cal.) |
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| Melting point | 83°C (Expl.) |
| Boiling point | 367.4±42.0°C at 760 mmHg (Cal.) |
| Flash point | 176.0±27.9°C (Cal.) |
| Safety Description | WARNING: Irritates lungs, eyes, skin |
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