2-fluoro-3-methoxyphenylboronic acid CAS#: 352303-67-4; 凯望编码 (ChemWhat Code): 62431
Identification
| 英文名 | 2-fluoro-3-methoxyphenylboronic acid |
| IUPAC Name | (2-fluoro-3-methoxyphenyl)boronic acid |
| 分子结构 | ![]() |
| CAS编号 | 352303-67-4 |
| EINECS Number | 609-099-0 |
| MDL Number | MFCD02094728 |
| Beilstein Registry Number | No data available |
| 别名 | (2-fluoro-3-methoxyphenyl)boronic acid, 2-fluoro-3-methoxy-benzeneboronic acid, 2-fluoro-3-methoxybenzene boronic acid, 2-fluoro-3-methoxybenzeneboronic acid, 2-fluoro-3-methoxyphenyl boronic acid, 2-fluoro-3-methoxyphenylboronic acid, 2-fluoro-3-(methoxy)phenylboronic acid |
| 分子式 | C7H8BFO3 |
| 分子量 | 169.946 |
| InChI | InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3 |
| InChI Key | JCKZNMSBFBPDPM-UHFFFAOYSA-N |
| Canonical SMILES | B(c1cccc(c1F)OC)(O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2018/177784 | HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS | 2018 |
| US2008/318943 | COMPOUNDS AND USES THEREOF – 848 | 2008 |
| WO2007/145569 | AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FO TREATING COGNITIVE IMPAIRMENT. ALZHEIMER DISEASE, NEURODE ENERATION AND DEMENTIA. | 2007 |
| WO2006/10637 | PYRIDINYLAMINES | 2006 |
Physical Data
| Appearance | White or off-white powder |
| Solubility | No data available |
| Melting Point | 117-122°C |
| Boiling Point | 326.8±52.0 °C(Predicted) |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| No data available |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| Pictogram(s) | ![]() |
| Signal | Warning |
| GHS Hazard Statements | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Stored below 0 ℃, filled with inert gas protection and away from light. |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 169.948 |
| logP | 1.123 |
| HBA | 2 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 49.69 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2-fluoro-3-methoxyphenylboronic acid CAS#: 352303-67-4 used as an intermediate of API, Elagolix |
Related Chemicals
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