9-Bromo-6-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
Category:
CAS:
| Synonyms | 2-Benzothiepin-5-ol, 9-bromo-6-fluoro-1,3,4,5-tetrahydro-; MFCD24324508 |
| IUPAC Name | 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;(2R)-2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[[(2R)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane |
| Molecular Weight | 1199.878 |
| Molecular Formula | C11H13ClOS (isomer) |
| Canonical SMILES | CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.CC(C)(C1=CC(=C(C(=C1)Br)OCC2CO2)Br)C3=CC(=C(C(=C3)Br)OCC4CO4)Br |
| InChI | InChI=1S/C21H20Br4O4.C15H12Br4O2/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,13-14H,7-10H2,1-2H3;3-6,20-21H,1-2H3 |
| InChIKey | CECOZGBSAREXBC-UHFFFAOYSA-N |
Producut details
| Boiling Point | 418.1±45.0 °C at 760 mmHg (Predicted) |
| Flash Point | 156.1±27.9 °C (Predicted) |
Chemical and Physical Properties
| Density | 1.6±0.1 g/cm3 (Predicted) |
| PSA | 83.98000 |
Our products are chemical reagents for research use only and are not intended for human use.
Related Products
If you have any other questions or need other size, please get a quote!
Online Inquiry