![2-[3,5-bis(Trifluoromethyl)phenyl]ethanethioamide structure, CAS 691868-49-2](/structures/100000/80495_1_691868_49_2.png)
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 691868-49-2 |
| Catalog No. | 2A-9080495 |
| Chinese Name | 2-[3,5-双(三氟甲基)苯基]硫代乙酰胺 |
| Synonyms | 2-(3,5-bis-trifluoromethylphenyl)thioacetamide; MFCD01313627; HMS566N07 |
| Molecular Formula | C10H7F6NS |
| Molecular Weight | 525.33 |
| Purity | ≥99.0 (HPLC) |
| Density | 1.451g/cm3 |
| Boiling Point | 250.5ºC at 760 mmHg |
| Melting Point | 113-117 °C |
| Storage Condition | Sealed, cool, dry place |
| PubChem ID | 329760395 |
| MDL Number | MFCD10566964 |
| SMILES | OC([C@@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F |
| InChI | 1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1 |
| InChI Key | ITXPGQOGEYWAKW-INIZCTEOSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352005 |
| MSDS | msds/80495_1_691868_49_2.pdf |
| Transport Info | Product name: 2-[3,5-bis(trifluoromethyl)phenyl]thioacetamide, 97% |
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