[4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3; 凯望编码 (ChemWhat Code): 1491425
Identification
| 英文名 | 3-A[4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) |
| IUPAC Name | 4-(3,6-dimethoxycarbazol-9-yl)butylphosphonic acid |
| 分子结构 | ![Structure of of [4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) CAS 2922526-56-3](https://www.chemwhat.com/wp-content/uploads/2025/07/Structure-of-of-4-36-dimethoxy-9H-carbazole-9-yl-butyl-phosphonic-acid-C18H22NO5P-CAS-2922526-56-3.png) |
| CAS编号 | 2922526-56-3 |
| 别名 | (4-(3,6-dimethoxy-9h-carbazol-9-yl)butyl)phosphonic acid 2922526-56-3 [4-(3,6-Dimethoxy-9H-carbazol-9-yl)butyl]phosphonic Acid 978-553-0 MeO-4PACZ SCHEMBL26597789 SCHEMBL30491695 MFCD35130656 H41609 |
| 分子式 | C18H22NO5P |
| 分子量 | 363.3 |
| InChI | InChI=1S/C18H22NO5P/c1-23-13-5-7-17-15(11-13)16-12-14(24-2)6-8-18(16)19(17)9-3-4-10-25(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22) |
| InChI Key | BBYPIKLULJQUEH-UHFFFAOYSA-N |
| SMILES | COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCP(=O)(O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN116768935 | Preparation method of carbazole alkyl phosphate derivative | 2023 |
Physical Data
No data available
Spectra
| [4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3 NMR | ![HNMR of [4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) CAS 2922526-56-3](https://www.chemwhat.com/wp-content/uploads/2025/07/HNMR-of-4-36-dimethoxy-9H-carbazole-9-yl-butyl-phosphonic-acid-C18H22NO5P-CAS-2922526-56-3.png) |
Route of Synthesis (ROS)
No data available
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Other Data
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 363.35 |
| logP | 2.854 |
| HBA | 4 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 17.07 |
| Rotatable Bond (RotB) | 7 |
| Matching Veber Rules | 2 |
| Use Pattern |
| [4-(3,6- dimethoxy -9H- carbazole -9- yl) butyl] phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3 is an OPV material |
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