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4-Bromobenzonitrile, 98+%

Catalog No. p-7081096
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Quantity:
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250 g
50 g
Catalog No. Quantity
AAA1091409 10 g
AAA1091418 50 g
AAA1091430 250 g
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Catalog No. AAA1091409

Supplier: Thermo Scientific Chemicals A1091409

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Description

CAS: 623-00-7 | C7H4BrN | 182.02 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

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.

Chemical Identifiers

CAS 623-00-7
Molecular Formula C7H4BrN
Molecular Weight (g/mol) 182.02
MDL Number MFCD00001811
InChI Key HQSCPPCMBMFJJN-UHFFFAOYSA-N
Synonym p-bromobenzonitrile, benzonitrile, 4-bromo, benzonitrile, p-bromo, 1-bromo-4-cyanobenzene, 4-bromo benzonitrile, 4-cyano-bromobenzene, 4-bromo-4'-cyanobenzene, 4-cyanobromobenzene, bromobenzonitrile-4, 4-bromocyanobenzene
PubChem CID 12162
IUPAC Name 4-bromobenzonitrile
SMILES BrC1=CC=C(C=C1)C#N

Specifications

Melting Point 111°C to 114°C
Density 1.562
Boiling Point 235°C to 237°C
Flash Point 130°C (266°F)
Quantity 10 g
UN Number UN3439
Beilstein 2041518
Solubility Information Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.
Formula Weight 182.03
Percent Purity ≥98%
Chemical Name or Material 4-Bromobenzonitrile
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Safety and Handling

Hazard Category H302+H312-H319
Hazard Statement 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.
Precautionary Statement P264b-P270-P280-P301+P312-P302+P352-P305+P351+P338-P312-P330-P363-P501c
DOTInformation Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber 210-764-9
RTECSNumber DI2460000
TSCA No
Recommended Storage Ambient temperatures

RUO – Research Use Only