5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine CAS#: 1872200-99-1; ChemWhat Code: 1491398
Identification
| Product Name | 5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine |
| IUPAC Name | 4-[3,5-bis(4-amino-2,3,5,6-tetrafluorophenyl)phenyl]-2,3,5,6-tetrafluoroaniline |
| Molecular Structure | ![structure of 5'-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2'',3,3'',5,5'',6,6''-octafluoro-[1,1':3',1''-terphenyl]-4,4''-diamine CAS 1872200-99-1](https://www.chemwhat.com/wp-content/uploads/2023/03/structure-of-CAS-1872200-99-1.png) |
| CAS Registry Number | 1872200-99-1 |
| Synonyms | 1872200-99-1 5′-(4-Amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine H42460 |
| Molecular Formula | C24H9F12N3 |
| Molecular Weight | 567.3 |
| InChI | InChI=1S/C24H9F12N3/c25-10-7(11(26)17(32)22(37)16(10)31)4-1-5(8-12(27)18(33)23(38)19(34)13(8)28)3-6(2-4)9-14(29)20(35)24(39)21(36)15(9)30/h1-3H,37-39H2 |
| InChI Key | GEWJCIHKSHAQSA-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1C2=C(C(=C(C(=C2F)F)N)F)F)C3=C(C(=C(C(=C3F)F)N)F)F)C4=C(C(=C(C(=C4F)F)N)F)F |
Physical Data
No data available
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| Spectrum | 1H | dimethylsulfoxide-d6 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 |
| Description (IR Spectroscopy) |
| ATR (attenuated total reflectance), Spectrum |
Route of Synthesis (ROS)
No data available
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 567.336 |
| logP | 7.323 |
| HBA | 3 |
| HBD | 3 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine CAS#: 1872200-99-1 used as a new COF/MOF Ligand |
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