4-Bromobenzonitrile
- CAS No.
- 623-00-7
- Chemical Name:
- 4-Bromobenzonitrile
- Synonyms
- P-BROMOBENZONITRILE;4-cyanobromobenzene;1-Bromo-4-cyanobenzene;4-bromobenzoic acid nitrile;PBBN;Of broMoxynil;4-Brombenzonitril;4-bromo-benzonitril;p-Cyanobromobenzene;BROMOBENZONITRILE-4
- CBNumber:
- CB3423145
- Molecular Formula:
- C7H4BrN
- Molecular Weight:
- 182.02
- MOL File:
- 623-00-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/15 16:24:08
| Melting point | 110-115 °C(lit.) |
|---|---|
| Boiling point | 235-237 °C(lit.) |
| Density | 1,562 g/cm3 |
| refractive index | 1.5999 (estimate) |
| Flash point | 130°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.2g/l |
| form | Powder or Flakes |
| color | White to light yellow or flakes |
| Water Solubility | Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether. |
| BRN | 2041518 |
| InChIKey | HQSCPPCMBMFJJN-UHFFFAOYSA-N |
| LogP | 2.3 at 22.5℃ and pH7 |
| CAS DataBase Reference | 623-00-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Bromobenzoic acid nitrile(623-00-7) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302+H312-H319-H412 | |||||||||
| Precautionary statements | P264-P273-P280-P301+P312-P302+P352+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,T,Xi | |||||||||
| Risk Statements | 22-36/37/38-20/21/22 | |||||||||
| Safety Statements | 61-36/37/39-26-24/25 | |||||||||
| RIDADR | UN 3439 6.1/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | DI2460000 | |||||||||
| Hazard Note | Toxic/Irritant | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269095 | |||||||||
| NFPA 704 |
|
4-Bromobenzonitrile price More Price(9)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | B58407 | 4-Bromobenzonitrile 99% | 623-00-7 | 10G | ₹2803.68 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | B58407 | 4-Bromobenzonitrile 99% | 623-00-7 | 50G | ₹8811.55 | 2022-06-14 | Buy |
| ALFA India | ALF-A10914-30 | 4-Bromobenzonitrile, 98+% | 623-00-7 | 250g | ₹15424 | 2022-05-26 | Buy |
| ALFA India | ALF-A10914-18 | 4-Bromobenzonitrile, 98+% | 623-00-7 | 50g | ₹6260 | 2022-05-26 | Buy |
| TCI Chemicals (India) | B1426 | 4-Bromobenzonitrile min. 97.0 % | 623-00-7 | 25G | ₹4600 | 2022-05-26 | Buy |
4-Bromobenzonitrile Chemical Properties,Uses,Production
Chemical Properties
4-Bromobenzonitrile is white to light yellow powder or flakes
Uses
4-Bromobenzonitrile is used as reagents and solvents. Reaction of 2-propanol, 4-bromobenzonitrile, and NaH in the presence of 1.5 mol % Pd2(dba)3 and 3 mol % (S)-(-)2,2?-bis(di-p-tolylphosphino)- 1,1?-binaphthyl at 50°C afforded 4-isopropoxy- benzonitrile in 80% isolated yield. The synthesis of 4-cyanobiphenyl at room temperature in a flow injection microreactor, using a supported catalyst, without the addition of a base gave a product yield of 67±7% (n=6). This was achieved by injecting 4-bromobenzonitrile. The 3-arylation of 2,5-dimethylthiophene with 4-bromopropiophenone, 4-trifluoromethylbromobenzene or 4-bromobenzonitrile gave 3-5 in only 38-50% yields in Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides.
Synthesis Reference(s)
Tetrahedron Letters, 27, p. 1925, 1986 DOI: 10.1016/S0040-4039(00)84413-5
Synthesis
To a 10 mL glass tube aryl halide (1 mmol), K4FeCN6 (0.6 mmol,220 mg), K2CO3 (1.5 mmol, 207 mg), catalyst (10 mg), and 2 mL DMF were added and the mixture was stirred for appropriate reaction time at 120 ℃ under argon atmosphere. The progress of the reaction was monitored by GC analysis. After completion of the reaction, the reaction mixture was washed with 5 mL water, and the crude product was isolated using dichloromethane (5× 1 mL). Organic extracts were combined, evaporated, and purified by flash chromatography using hexane/EtOAc to give 4-Bromobenzonitrile.
4-Bromobenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Advantage |
|---|---|
| ANJI BIOSCIENCES | 58 |
| SURVIVAL TECHNOLOGIES LIMITED | 58 |
| Jyoti Chemical Centre | 58 |
| SNECOFRi Pvt Ltd | 58 |
| Cefa-Cilinas Biotics Pvt Ltd | 58 |
| JSK Chemicals | 58 |
| Anami Organics | 58 |
| Dr R R Organics | 58 |
| Navone Specialties (OPC) Pvt Ltd | 58 |
| Dr. Jagath Reddy's Heterocyclics | 42 |
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