ChemicalBook > CAS DataBase List > 4-Bromobenzonitrile

4-Bromobenzonitrile

Product Name
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
Formula Weight
182.02
MOL File
623-00-7.mol
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4-Bromobenzonitrile Property

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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
B58407
Product name
4-Bromobenzonitrile
Purity
99%
Packaging
10g
Price
$53.8
Updated
2024/03/01
Sigma-Aldrich
Product number
B58407
Product name
4-Bromobenzonitrile
Purity
99%
Packaging
50g
Price
$168
Updated
2024/03/01
TCI Chemical
Product number
B1426
Product name
4-Bromobenzonitrile
Purity
>97.0%(GC)
Packaging
25g
Price
$49
Updated
2024/03/01
TCI Chemical
Product number
B1426
Product name
4-Bromobenzonitrile
Purity
>97.0%(GC)
Packaging
250g
Price
$488
Updated
2024/03/01
Alfa Aesar
Product number
A10914
Product name
4-Bromobenzonitrile, 98+%
Packaging
10g
Price
$44.65
Updated
2024/03/01
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4-Bromobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

4-Bromobenzonitrile is white to light yellow powder or flakes

Uses

4- Bromobenzonitrile is classified as organic nitriles, which are commonly use solvents and are reacted further for various applications such as manufacture of polymers and intermediates for pharmaceu ticals and other organic chemicals,

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.

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View Lastest Price from 4-Bromobenzonitrile manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
4-Bromobenzonitrile 623-00-7
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100 mt
Release date
2024-11-13
Hebei Chuanghai Biotechnology Co,.LTD
Product
4-Bromobenzonitrile 623-00-7
Price
US $9.00/KG
Min. Order
1KG
Purity
99.9
Supply Ability
1 ton
Release date
2024-08-15
Hebei Fengqiang Trading Co., LTD
Product
4-Bromobenzonitrile 623-00-7
Price
US $100.00/bag
Min. Order
1bag
Purity
99
Supply Ability
5000
Release date
2023-08-30

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