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4-Bromobenzonitrile

4-Bromobenzonitrile ??? ???
?? ??:
623-00-7
???:
4-Bromobenzonitrile
???(??):
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
???:
C7H4BrN
??? ??:
182.02
MOL ??:
623-00-7.mol
MSDS ??:
SDS

4-Bromobenzonitrile ??

???
110-115 °C(lit.)
?? ?
235-237 °C(lit.)
??
1,562 g/cm3
???
1.5999 (estimate)
???
130°C
?? ??
Sealed in dry,Room Temperature
???
0.2g/L
??? ??
?? ?? ????
??
???? ?? ??? ?? ??
???
?(0.2g/L)? ?? ?? ?????. ???? ???? ?????.
BRN
2041518
InChIKey
HQSCPPCMBMFJJN-UHFFFAOYSA-N
LogP
2.3 at 22.5℃ and pH7
CAS ??????
623-00-7(CAS DataBase Reference)
NIST
4-Bromobenzoic acid nitrile(623-00-7)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,T,Xi
?? ???? ?? 22-36/37/38-20/21/22
????? 61-36/37/39-26-24/25
????(UN No.) UN 3439 6.1/PG 3
WGK ?? 2
RTECS ?? DI2460000
?? ?? ?? Toxic/Irritant
?? ?? 6.1
???? III
HS ?? 29269095
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H412 ??? ??? ?? ????? ??? ?? ????? ?? - ?? ?? 3 P273, P501
??????:
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
2 0

4-Bromobenzonitrile MSDS


4-Bromobenzoic acid nitrile

4-Bromobenzonitrile C??? ??, ??, ??

??? ??

4-Bromobenzonitrile is white to light yellow powder or flakes

??

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.
4-Bromobenzonitrile

4-Bromobenzonitrile ?? ?? ? ???

???

?? ??

4-?????????? 4-?????? 1-Boc-4-(4-methoxycarbonylphenyl)piperazine 2-CYANO-5-BROMOPHENYLBORONIC ACID PINACOL ESTER 4-[4-(tert-???????)?????]??? 4-Cyanophenylboronic acid 4-Bromo-2-chlorobenzonitrile 4-N-???????? 4-???????? ?????? 4-??????? 3-(4-CYANO-PHENYL)-3-OXO-PROPIONICACIDETHYL???? 2,4'-DIBROMOPROPIOPHENONE (4-?????)??????????? TERT-??4-?????????? 4-(Pentafluoroethyl)benzonitrile

4-Bromobenzonitrile ?? ??

???( 557)?? ??
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4-Bromobenzonitrile ?? ??:

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