| Identification | More | [Name]
4-Bromobenzonitrile | [CAS]
623-00-7 | [Synonyms]
1-Bromo-4-cyanobenzene
4-BROMO-4'-CYANOBENZENE
4-bromobenzoic acid nitrile
4-BROMOBENZONITRILE
4-BROMOCYANOBENZENE
BROMOBENZONITRILE-4
PBBN
P-BROMOBENZONITRILE
4-bromo-benzonitril
Benzonitrile, 4-bromo-
Benzonitrile, p-bromo-
p-Bromophenyl cyanide
p-Bromobenzonitrile 4-Bromobenzonitrile
4-BROMBENZONITRILE, 99%
4-Bromobenzonitrile, 98+%
4-cyanobromobenzene
4-Bromobenzonitrile 99+%
4-Brombenzonitril
4-Cyanophenyl bromide
p-Cyanobromobenzene | [EINECS(EC#)]
210-764-9 | [Molecular Formula]
C7H4BrN | [MDL Number]
MFCD00001811 | [Molecular Weight]
182.02 | [MOL File]
623-00-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow powder or flakes | [Melting point ]
110-115 °C(lit.)
| [Boiling point ]
235-237 °C(lit.)
| [density ]
1,562 g/cm3 | [refractive index ]
1.5999 (estimate) | [Fp ]
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. | [Detection Methods]
HPLC,NMR | [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 Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3439 6.1/PG 3
| [WGK Germany ]
2
| [RTECS ]
DI2460000
| [Hazard Note ]
Toxic/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 |
| Hazard Information | Back Directory | [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, | [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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