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Alfa Aesar™ 4-Bromobenzonitrile, 98+%

Chemical Identifiers

Chemical Name or Material 4-Bromobenzonitrile
CAS 623-00-7
Molecular Formula C7H4BrN
Formula Weight 182.03g/mol
MDL Number MFCD00001811
UN Number UN3439
Beilstein 2041518
Synonym 4-Cyanobromobenzene
View More Specs
Products
Catalog Number Mfr. No. Quantity Price Quantity    

AAA1091409

 
alfa aesar™
A10914-09
10g CALL N/A N/A
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Description & Specifications

Specifications

Melting Point 111° to 114°C
Boiling Point 235° to 237°C
Quantity 10g
Flash Point 130°C (266°F)
Chemical Name or Material 4-Bromobenzonitrile
CAS 623-00-7
Assay ≥98%
Molecular Formula C7H4BrN
Formula Weight 182.03g/mol
MDL Number MFCD00001811
UN Number UN3439
Beilstein 2041518
Synonym 4-Cyanobromobenzene
Health Hazard 1 Danger
Health Hazard 2 GHS H Statement
H301-H331-H312-H315-H319-H335
Toxic if swallowed.
Toxic if inhaled.
Harmful in contact with skin.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Health Hazard 3 GHS P Statement
P261-P280-P301+P310-P305+P351+P338-P405-P501a
Avoid breathing dust/fume/gas/mist/vapors/spray.
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.
Store locked up.
Dispose of contents/container in accordance with local/regional/national/international regulations.
DOT Information Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
RTECS Number DI2460000

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.

Solubility
Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.

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

Safety and Handling

Danger

GHS P Statement
P261-P280-P301+P310-P305+P351+P338-P405-P501a
Avoid breathing dust/fume/gas/mist/vapors/spray.
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.
Store locked up.
Dispose of contents/container in accordance with local/regional/national/international regulations.

GHS H Statement
H301-H331-H312-H315-H319-H335
Toxic if swallowed.
Toxic if inhaled.
Harmful in contact with skin.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.