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623-00-7 - 4-Bromobenzonitrile, 98+% - 4-Cyanobromobenzene - A10914 - Alfa Aesar

A10914 4-Bromobenzonitrile, 98+%

CAS Number
623-00-7
Synonyms
4-Cyanobromobenzene

Size Price ($) Quantity Availability
10g 37.44
50g 135.00
250g 452.00
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4-Bromobenzonitrile, 98+%

MDL
MFCD00001811
EINECS
210-764-9

Chemical Properties

Formula
C7H4BrN
Formula Weight
182.03
Melting point
111-114°
Boiling Point
235-237°
Flash Point
130°(266°F)
Density
1.562
Solubility
Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.

Applications

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.

Notes

Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Literature References

Michael Palucki,; John P. Wolf,; Stephen L. Buchwald. Palladium-Catalyzed Intermolecular Carbon-Oxygen Bond Formation:? A New Synthesis of Aryl Ethers. J. Am. Chem. Soc. 1997, 119 (14), 3395-3396.

Gillian M Greenway,; Stephen J Haswell,; David O Morgan,; Victoria Skelton,; Peter Styring. The use of a novel microreactor for high throughput continuous flow organic synthesis. Sensors and Actuators B: Chemical. 2000, (3) ,153-158.

GHS Hazard and Precautionary Statements

Hazard Statements: H301-H331-H312-H315-H319-H335-H402-H412

Toxic if swallowed. Toxic if inhaled. Harmful in contact with skin. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. Harmful to aquatic life. Harmful to aquatic life with long lasting effects.

Precautionary Statements: P261-P273-P280-P301+P310-P305+P351+P338-P304+P340-P311-P362-P405-P501a

Avoid breathing dust/fume/gas/mist/vapours/spray. Avoid release to the environment. Wear protective gloves/protective clothing/eye protection/face protection. IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. Take off contaminated clothing and wash before reuse. Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.

Other References

Beilstein
2041518
Hazard Class
6.1
Packing Group
III
Harmonized Tariff Code
2926.90
TSCA
No
RTECS
DI2460000

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