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| | 3-Bromo-4-methoxybenzonitrile Basic information |
| | 3-Bromo-4-methoxybenzonitrile Chemical Properties |
| Melting point | 122-124 °C (lit.) | | Boiling point | 282.8±20.0 °C(Predicted) | | density | 1.56±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Soluble in methanol. | | form | powder to crystal | | color | White to Light yellow to Light orange | | BRN | 3246576 | | InChI | 1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3 | | InChIKey | QHWZMDRKTYTPEE-UHFFFAOYSA-N | | SMILES | COc1ccc(cc1Br)C#N | | CAS DataBase Reference | 117572-79-9(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38-52 | | Safety Statements | 26-36 | | RIDADR | 3439 | | WGK Germany | 3 | | Hazard Note | Harmful/Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Bromo-4-methoxybenzonitrile Usage And Synthesis |
| Chemical Properties | Off-white powder | | Uses | 3-Bromo-4-methoxybenzonitrile is used to prepare 3-bromo-2-iodo-4-methoxy-benzonitrile. It is also used as pharmaceutical intermediates. | | Synthesis | The reaction was carried out with 3-bromo-4-hydroxybenzonitrile (5.0 g, 25.3 mmol), potassium carbonate (7.0 g, 50.1 mmol) and iodomethane (3.9 g, 27.8 mmol) in acetonitrile (20 mL) with stirring for 6 h at 25 °C. The reaction was carried out by thin layer chromatography (TLC). The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was subjected to liquid-liquid separation between ethyl acetate (100 mL) and water (30 mL). The organic phase was collected, washed with brine (20 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast column chromatography on silica gel to afford 3-bromo-4-methoxybenzenecarbonitrile (4.8 g, 22.6 mmol) in 89% yield using a hexane solution of 30% ethyl acetate as eluent. | | References | [1] Patent: WO2017/11590, 2017, A1. Location in patent: Paragraph 00409
[2] Patent: US2005/153877, 2005, A1. Location in patent: Page/Page column 122 |
| | 3-Bromo-4-methoxybenzonitrile Preparation Products And Raw materials |
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