Introduction：Basic information about 4-Bromo-3-methylbenzonitrile CAS 41963-20-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Bromo-3-methylbenzonitrile Basic information
| Product Name: | 4-Bromo-3-methylbenzonitrile |
| Synonyms: | 4-BROMO-3-METHYLBENZONITRILE;3-Methyl-4-bromobenzonitrile;4-Bromo-m-tolunitrile;4-BROMO-3-METHYLBENZONITRILE 98%;1-Bromo-4-cyano-2-methylbenzene;3-Methyl-4-bromocyanobenzene;2-Bromo-5-cyanotoluene, 4-Bromo-m-tolunitrile;Methyl-4-bromobenzonitrile |
| CAS: | 41963-20-6 |
| MF: | C8H6BrN |
| MW: | 196.04 |
| EINECS: | 628-521-4 |
| Product Categories: | Building Blocks;C8 to C9;Aromatic Nitriles;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Nitrile;Bromine Compounds;Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds |
| Mol File: | 41963-20-6.mol |
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4-Bromo-3-methylbenzonitrile Chemical Properties
| Melting point | 53-57 °C (lit.) |
| Boiling point | 129-130°C 5mm |
| density | 1.51 |
| Fp | 205 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder |
| color | Dark yellow |
| Water Solubility | Insoluble in water. |
| BRN | 2354972 |
| InChI | InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3 |
| InChIKey | SKXUZFJOLNNWIG-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Br)C(C)=C1 |
| CAS DataBase Reference | 41963-20-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22 |
| Safety Statements | 36/37 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
4-Bromo-3-methylbenzonitrile Usage And Synthesis
| Chemical Properties | white to light yellow crystal powder |
| Uses | 4-bromo-3-methylbenzenecarbonitrile is a nitrile compound for proteomics research & a pharmaceutical intermediate. |
| Uses | 4-Bromo-3-methylbenzonitrile may be used to synthesize 2,4,6-tris(4-bromo-3-methyl-phenylene)-1,3,5-triazine and 4-fluoro-3-methylbenzonitrile. |
| Definition | 4-Bromo-3-methylbenzonitrile (4B3MBN) is almost planar and the derivatives are used like midways in the production of phthalocyanine dyes. The surrogated phthalocyanine dyes are used for DSSC, photo redox responses and photodynamic cancer therapy[1]. |
| References | [1] Shajikumar, R. Raman. “Experimental and Theoretical Spectroscopic Investigations of 4-Bromo-3-methylbenzonitrile.” Oriental Journal Of Chemistry (2018). |
4-Bromo-3-methylbenzonitrile Preparation Products And Raw materials
| Preparation Products | 2-METHYL-4-CYANOPHENYLBORONIC ACID-->4'-Bromo-3'-methylacetophenone-->4-Fluoro-3-methylbenzonitrile-->m-Tolunitrile-->[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-2-methyl- |
