2,4-Dichlorobenzenediazonium tetrafluoroborate CAS#: 21872-70-8; 凯望编码 (ChemWhat Code): 221491
Identification
| 英文名 | 2,4-Dichlorobenzenediazonium tetrafluoroborate |
| IUPAC Name | 2,4-dichlorobenzenediazonium;tetrafluoroborate |
| 分子结构 |  |
| CAS编号 | 21872-70-8 |
| MDL Number | MMFCD01656969 |
| 别名 | 2,4-dichlorobenzenediazonium tetrafluoroborate 21872-70-8 2,4-dichlorobenzenediazonium;tetrafluoroborate SCHEMBL638667 HY-D0898 MFCD01656969 AKOS017547894 AS-19587 CS-0015220 J-200335 5-Bromo-4-chloro-1H-indol-2-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-?-L-threo-hex-2-ulopyranosidonic acid |
| 分子式 | C6H3BCl2F4N2 |
| 分子量 | 260.81 |
| InChI | InChI=1S/C6H3Cl2N2.BF4/c7-4-1-2-6(10-9)5(8)3-4;2-1(3,4)5/h1-3H;/q+1;-1 |
| InChI Key | WZSTVAYXFYACGJ-UHFFFAOYSA-N |
| Isomeric SMILES | [B-](F)(F)(F)F.C1=CC(=C(C=C1Cl)Cl)[N+]#N |
Physical Data
| Appearance | LWhite yellowish or light yellow powder |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | |
| Chemical shifts, Spectrum | 19F | dimethylsulfoxide-d6 | |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | 101 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With palladium diacetate In tert-butyl alcohol at 20℃; for 12h; Experimental Procedure General procedure for cross-coupling of arenediazoniums General procedure: To a mixture of arenediazonium tetrafluoroborates (1.2mmol) and diarylborinic acids (0.5mmol) was added 4mL tert-butanol solution containing 0.67mg (0.3mol%) Pd(OAc)2 prepared prior to use. The mixture was stirred at room temperature for a given time or monitored by TLC until the starting materials were completely consumed. The reaction mixture was diluted with CH2Cl2 (15 mL), followed by washing with H2O (2×10mL). The organic layer was dried over Na2SO4, filtered, and evaporated under reduced pressure to give crude product, which was purified by column chromatography on silica gel with petroleum ether/ethyl acetate as eluent. | 95% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Source: European Chemicals Agency (ECHA)
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License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Transportation | Under room temperature away from light |
| HS Code | |
| Storage | Under room temperature away from light |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 260.814 |
| logP | |
| HBA | 1 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 28.15 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2,4-Dichlorobenzenediazonium tetrafluoroborate CAS#: 21872-70-8 is a versatile chemical reagent widely used in diazotization and substitution reactions, electronic materials, synthetic intermediates, and the synthesis of organic dyes and pigments. Its diverse applications and chemical properties make it significant in the fields of organic chemistry and materials science. |
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