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 Chemistry | USA | |||
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+1 (201) 478-8534 | |||
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inquiry@alfa-chemistry.com | |||
| Chemical distributor since 2012 | ||||
| Santa Cruz Biotechnology, Inc. | USA | |||
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+1 (831) 457-3800 | |||
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scbt@scbt.com | |||
| Chemical manufacturer | ||||
| Sigma-Aldrich, Inc. | USA | |||
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+86 (21) 6141-5566 / 800-819-3336 | |||
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ordercn@sial.com, | |||
| Chemical manufacturer since 1992 | ||||
| Classification | Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate |
|---|---|
| Name | 1-Isothiocyanato-3-[(Trifluoromethyl)Sulfanyl]Benzene |
| Synonyms | (Trifluoromethylthio)phenylisothiocyanate; 3-(Trifluoromethylthio)phenyl isothiocyanate; 3-(TRIFLUOROMETHYLTHIO)PHENYLISOTHIOCYANATE |
| Molecular Structure | ![CAS#: 42729-26-0， 1-Isothiocyanato-3-[(Trifluoromethyl)Sulfanyl]Benzene](/moreStructures/42729-26-0.gif) |
| Molecular Formula | C8H4F3NS2 |
| Molecular Weight | 235.25 |
| CAS Registry Number | 42729-26-0 |
| SMILES | FC(F)(F)Sc1cc(\N=C=S)ccc1 |
| InChI | 1S/C8H4F3NS2/c9-8(10,11)14-7-3-1-2-6(4-7)12-5-13/h1-4H |
| InChIKey | ZVMPEUKZYDFXQN-UHFFFAOYSA-N |
| Density | 1.345g/cm3 (Cal.) |
|---|---|
| Boiling point | 224.69°C at 760 mmHg (Cal.) |
| Flash point | 89.689°C (Cal.) |
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