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5-Bromoisoquinoline

5-Bromoisoquinoline Structure
CAS No.
34784-04-8
Chemical Name:
5-Bromoisoquinoline
Synonyms
5-BromoisoquinoL;AKOS BBS-00003132;BUTTPARK 44\07-76;5-BROMOISOQUINOLINE;5-Bromo Isoquinolin;Isoquinoline, 5-bromo-;5-Bromoisoquinoline,97%;5-Bromoisoquinoline,98%;5-Bromoisoquinoline >5-Bromoisoquinoline, HCl
CBNumber:
CB3135741
Molecular Formula:
C9H6BrN
Molecular Weight:
208.05
MOL File:
34784-04-8.mol
MSDS File:
SDS
Modify Date:
2024/1/25 16:49:20

5-Bromoisoquinoline Properties

Melting point 83-87 °C (lit.)
Boiling point 95-97°C 0,1mm
Density 1.564±0.06 g/cm3(Predicted)
Flash point 95-97°C/0.1mm
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Chloroform, Dichloromethane, Ethyl Acetate, Methanol
pka 4.39±0.13(Predicted)
form Solid
color Yellow
BRN 114468
InChI InChI=1S/C9H6BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChIKey CYJZJGYYTFQQBY-UHFFFAOYSA-N
SMILES C1C2=C(C(Br)=CC=C2)C=CN=1
CAS DataBase Reference 34784-04-8(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-21/22-20/21/22
Safety Statements  26-36-36/37/39
WGK Germany  3
Hazard Note  Irritant
HS Code  29334900
NFPA 704
1
2 0

5-Bromoisoquinoline price More Price(4)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 594261 5-Bromoisoquinoline 98% 34784-04-8 1G ₹6495 2022-06-14 Buy
Sigma-Aldrich(India) 594261 5-Bromoisoquinoline 98% 34784-04-8 5G ₹18499.93 2022-06-14 Buy
TCI Chemicals (India) B3313 5-Bromoisoquinoline min. 96.0 % 34784-04-8 1G ₹2400 2022-05-26 Buy
TCI Chemicals (India) B3313 5-Bromoisoquinoline min. 96.0 % 34784-04-8 5G ₹3600 2022-05-26 Buy
Product number Packaging Price Buy
594261 1G ₹6495 Buy
594261 5G ₹18499.93 Buy
B3313 1G ₹2400 Buy
B3313 5G ₹3600 Buy

5-Bromoisoquinoline Chemical Properties,Uses,Production

Description

5-Bromoisoquinoline is a synthetic intermediate useful for pharmaceutical synthesis.

Chemical Properties

White to yellow-brown crystals

Synthesis Reference(s)

[1] W. Brown, A. Gouliaev. “Bromination of Isoquinoline, Quinoline, Quinazoline and Quinoxaline in Strong Acid.” ChemInform 98 1 (2002).

Synthesis

To mechanically stirred concd H2SO4 (42.5 mL) at 0 °C, isoquinoline (1; 5 mL, 42.5 mmol) was slowly added. The mixture was cooled to –25 °C, and NBS (9.83 g, 55.2 mmol) was added at such a rate that the reaction temperature was kept between –25 °C and –22 °C. The mixture was stirred at -22±1 °C for 2 h and at -18±1 °C for 3h. The mixture was then worked up as described above to give 6.16 g (72%) as a slightly off-white solid after chromatography; mp 81–82 °C. The solid was further purified by sublimation (75 °C/0.2 mmHg) to give 5-Bromoisoquinoline as a white powder[1].

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BUTTPARK 44\07-76 AKOS BBS-00003132 5-BROMOISOQUINOLINE Isoquinoline, 5-bromo- 5-Bromo Isoquinolin 5-Bromoisoquinoline,98% 5-Bromoisoquinoline,97% 5-Bromoisoquinoline, HCl 5-Bromoisoquinoline > 5-BromoisoquinoL 5-Bromoisoquinoline ISO 9001:2015 REACH 5-Bromoisoquinoline (BIQ) 34784-04-8 54784-04-8 34784-06-8 Building Blocks Isoquinolines Heterocyclic Building Blocks Halogenated Heterocycles Aromatics Building Blocks Chemical Synthesis Halogenated Heterocycles Heterocyclic Building Blocks Halogenated Heterocycles Heterocyclic Building Blocks Isoquinolines IsoquinolinesBuilding Blocks Halogenated Isoquinoline Organohalides Quinolines, Isoquinolines & Quinoxalines Quinolines, Quinazolines and derivatives Quinoline&Isoquinoline Isoquinoline Derivertives Pyrrolidines Halides Heterocycles blocks Bromides Quinolines