7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde CAS#: 1071224-34-4; 凯望编码 (ChemWhat Code): 1042006
Identification
| 英文名 | 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde |
| IUPAC Name | 4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde |
| 分子结构 |  |
| CAS编号 | 1071224-34-4 |
| EINECS Number | No data available |
| MDL Number | MFCD23704428 |
| Beilstein Registry Number | No data available |
| 别名 | 7-bromobenzo[c][1,2,5]thiadiazole-4-carboxaldehyde, 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde, 7-bromobenzo[c] [1,2,5]thiadiazole-4-carbaldehyde, 7-bromobenzo[c][1,2,5]thiadiazole-4-carbaldehyde, 7-bromo-2,1,3-benzothiadiazole-4-carboxaldehyde, 7-bromobenzo[c][1,2,5]thiadiazol-4-carbaldehyde, 7-bromo-benzo[1,2,5]thiadiazole-4-carbaldehyde |
| 分子式 | C7H3BrN2OS |
| 分子量 | 243.08 |
| InChI | InChI=1S/C7H3BrN2OS/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H |
| InChI Key | VPDPNJVAWKCZEH-UHFFFAOYSA-N |
| Canonical SMILES | c1cc(c2c(c1C=O)nsn2)Br |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN111205245 | Hole transport material as well as preparation method and application thereof (by machine translation) | 2020 |
Physical Data
| Appearance | Yellow powder |
| Melting Point, °C |
| 185 – 186 |
| 192 |
| 185 – 186 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
| Chemical shifts | 1H | chloroform-d1 | 24.84 | 400 | |
| Chemical shifts | 13C | chloroform-d1 | 25 | 100 | |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 | ||
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
![HNMR of 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde CAS 1071224-34-4](http://www.chemwhat.com/wp-content/uploads/2018/05/HNMR-of-7-bromo-benzoc125thiadiazole-4-carbaldehyde-CAS-1071224-34-4.png)
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Original Text (IR Spectroscopy) |
| Bands | potassium bromide | IR (KBr) v 3078, 3021, 2835, 2728, 1702, 1526, 1268, 1102, 937, 879 cm−1 |
| Bands | potassium bromide |
| Description (Mass Spectrometry) |
| high resolution mass spectrometry (HRMS), fast atom bombardment (FAB), spectrum |
| high resolution mass spectrometry (HRMS), fast atom bombardment (FAB), spectrum |
| CI (Chemical ionization), Spectrum |
| HRMS (High resolution mass spectrometry), FAB (Fast atom bombardment), Spectrum |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P301+P312, P330, 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 |
| Store in a cool and dry place, in container tightly sealed; Protect from light. | |
| HS Code | No data available |
| Storage | Store in a cool and dry place, in container tightly sealed; Protect from light. |
| Shelf Life | 1 year |
| Market Price | USD |
| Use Pattern |
| Uesd as the organic photovoltaic material. |
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认证生产商 | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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