Introduction：Basic information about 2-Bromo-5-methoxybenzonitrile CAS 138642-47-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Bromo-5-methoxybenzonitrile Basic information
| Product Name: | 2-Bromo-5-methoxybenzonitrile |
| Synonyms: | 4-Bromo-3-cyanoanisole, 6-Bromo-m-anisonitrile;2-BroMo-5-Methoxybenzonitrile 97%;4-Bromo-3-cyanoanisole;Benzonitrile, 2-bromo-5-methoxy-;KML-45;2-BROMO-5-METHOXYBENZONITRILE |
| CAS: | 138642-47-4 |
| MF: | C8H6BrNO |
| MW: | 212.04 |
| EINECS: | |
| Product Categories: | Aromatic Nitriles;C8 to C9Chemical Synthesis;Cyanides/Nitriles;New Products for Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks |
| Mol File: | 138642-47-4.mol |
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2-Bromo-5-methoxybenzonitrile Chemical Properties
| Melting point | 99-102 °C |
| Boiling point | 292.8±30.0 °C(Predicted) |
| density | 1.56±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | solid |
| color | peachy |
| InChI | InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3 |
| InChIKey | ZQONVYONOASKIY-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(OC)=CC=C1Br |
| CAS DataBase Reference | 138642-47-4 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 36/37 |
| RIDADR | UN3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
2-Bromo-5-methoxybenzonitrile Usage And Synthesis
| Uses | 2-Bromo-5-methoxybenzonitrile (10.0 g, 47.2 mmol) was dissolved in dry tetrahydrofuran (100 mL) in a flame-dried flask and cooled in an ice bath. A solution of borane in tetrahydrofuran (75 mL, 75 mmol, 1.0 M) was added dropwise over 30 minutes. The reaction mixture was stirred overnight at rt, then quenched slowly with ice water and Na2CO3 (saturated aqueous solution). After removing THF, the residue was extracted with large amounts of EtOAc three times. The combined organic layers were washed with water, dried, and concentrated to give the crude, which was purified by silica gel column chromatography to give 1-(2-Bromo-5-methoxyphenyl)methanamine as a white powder (3.65 g, 36%). |
2-Bromo-5-methoxybenzonitrile Preparation Products And Raw materials
| Raw materials | Benzaldehyde, 2-bromo-5-methoxy-, oxime-->3-Methoxybenzonitrile |
| Preparation Products | 2-BROMO-5-METHOXYBENZYLAMINE |
