6-Bromoisoquinoline Chemical Properties

Melting point:

44.0 to 48.0 °C

Boiling point:

312.3±15.0 °C(Predicted)

Density 

1.564±0.06 g/cm3(Predicted)

Flash point:

>110℃

storage temp. 

Inert atmosphere,Room Temperature

solubility 

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:8): .5 mg/ml

form 

Crystalline Powder

pka

4.83±0.10(Predicted)

color 

White

λmax

320nm(CHCl3)(lit.)

InChI

InChI=1S/C9H6BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H

InChIKey

ZTEATMVVGQUULZ-UHFFFAOYSA-N

SMILES

C1C2=C(C=C(Br)C=C2)C=CN=1

CAS DataBase Reference

34784-05-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-36-20/21/22

Safety Statements 

26-36/37/39-24/25

WGK Germany 

1

HS Code 

29334900

6-Bromoisoquinoline Usage And Synthesis

Uses

6-Bromoisoquinoline is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Synthesis

Add the catalyst and p-bromoaniline to the dilute sulfuric acid, and add glycerol dropwise while controlling the temperature to 140-145°C. After the dropwise addition is completed, the dehydration reaction occurs at 140-145°C for 3 hours. Add the above reaction liquid dropwise to ice water, and then add ammonia water dropwise to adjust the pH of the system. Extract the reaction solution with toluene, concentrate the toluene phase at 150~155℃/15mmHg, and then distill the crude product to obtain the product 6-bromoisoquinoline.

References

[1] Patent: WO2015/181676, 2015, A1. Location in patent: Page/Page column 132-133
[2] Dalton Transactions, 2015, vol. 44, # 18, p. 8552 - 8563
[3] Molecules, 2017, vol. 22, # 8,
[4] Journal of the Chemical Society. Perkin Transactions 2, 1998, # 2, p. 437 - 447

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