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4-Bromo-1-chloroisoquinoline

4-Bromo-1-chloroisoquinoline structure

CAS No.: 66728-98-1

Chemical Name:: 4-Bromo-1-chloroisoquinoline

Synonyms: 1-Chloro-4-bromoisoquinoline;4-BROMO-1-CHLOROISOQUINOLINE;Isoquinoline, 4-bromo-1-chloro-;4-Bromo-1-chloro-2-azanaphthalene;4-BROMO-1-CHLOROISOQUINOLINE 66728-98-1

CBNumber:: CB4695620

Molecular Formula:: C9H5BrClN

Molecular Weight:: 242.5

MDL Number:: MFCD00234469

MOL File:: 66728-98-1.mol

MSDS File:: SDS

Last updated:2026-05-28 01:24:09

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4-Bromo-1-chloroisoquinoline Properties

Melting point	97 °C (decomp)
Boiling point	328.8±22.0 °C(Predicted)
Density	1.673±0.06 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
pka	-0.02±0.31(Predicted)
Appearance	White to off-white Solid
InChI	InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChIKey	HRWILRGBDZGABZ-UHFFFAOYSA-N
SMILES	C1(Cl)C2=C(C=CC=C2)C(Br)=CN=1
CAS DataBase Reference	66728-98-1(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H332-H335
Precautionary statements	P261-P280-P305+P351+P338
HS Code	2933499090

4-Bromo-1-chloroisoquinoline price More Price(67)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Usbiological	264383	4-Bromo-1-chloroisoqUinoline Asreported	66728-98-1	250mg	$368	2026-06-03	Buy
Usbiological	264383	4-Bromo-1-chloroisoqUinoline Asreported	66728-98-1	500mg	$509	2026-06-03	Buy
Usbiological	264383	4-Bromo-1-chloroisoqUinoline Asreported	66728-98-1	1g	$701	2026-06-03	Buy
Usbiological	264383	4-Bromo-1-chloroisoqUinoline Asreported	66728-98-1	2g	$958	2026-06-03	Buy
Usbiological	264383	4-Bromo-1-chloroisoqUinoline Asreported	66728-98-1	5g	$1327	2026-06-03	Buy

Product number	Packaging	Price	Buy
264383	250mg	$368	Buy
264383	500mg	$509	Buy
264383	1g	$701	Buy
264383	2g	$958	Buy
264383	5g	$1327	Buy

4-Bromo-1-chloroisoquinoline Chemical Properties, Uses, Production

Uses

4-Bromo-1-chloroisoquinoline is an isoquinoline derivative whose molecular structure contains substituents chlorine and bromine atoms at positions 1 and 4. The product can be used in metal-catalysed cross-coupling reactions and in the preparation of pharmaceuticals.

Synthesis

3951-95-9

66728-98-1

The general procedure for the synthesis of 4-bromo-1-chloroisoquinolines from 4-bromo-1(2H)-isoquinolinones was as follows: 4-bromoisoquinolin-1-ol (1.4 g, 5.80 mmol) was mixed with phosphorus trichloride (POCl3, 8.9 g, 58.09 mmol, 10 equiv.) and heated to reflux under stirring conditions. The progress of the reaction was monitored by liquid chromatography-mass spectrometry (LCMS) and it was confirmed that the reaction was completed after 4 hours. The reaction mixture was cooled to room temperature and the reaction was quenched with ice water (100 mL) followed by extraction with ethyl acetate (EtOAc, 3 x 25 mL). The organic phases were combined and washed sequentially with water (3 × 20 mL), saturated aqueous sodium bicarbonate (30 mL) and brine (20 mL). The organic layer was dried with anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent to afford 4-bromo-1-chloroisoquinoline as a white solid 1.3 g in 87% yield.

References

[1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 2, p. 217 - 222

4-Bromo-1-chloroisoquinoline Preparation Products And Raw materials

Raw materials

Pyridinium tribromide Isoquinoline Acetic anhydride N,N-Dimethylformamide Hydrogen peroxide

1,2-Dichloroethane Oxalyl chloride 4-Bromo-1(2H)-isoquinolone 4-Bromo-isoquinoline 2-oxide

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Preparation Products

4-Bromo-1-ethoxyisoquinoline

4-Bromo-1-chloroisoquinoline Suppliers

Global Suppliers ( 177)

Supplier	Tel	Email	Country	ProdList	Advantage
Accela ChemBio Co.,Ltd.	021-50795510 4000665055	marketing@accelachem.com	China	9993	58
J & K SCIENTIFIC LTD.	18210857532 18210857532	jkinfo@jkchemical.com	China	96815	76
Energy Chemical	400-0056266	sales8178@energy-chemical.com	China	44850	61
Wuhan Chemwish Technology Co., Ltd	86-027-67849912	sales@chemwish.com	China	35884	56
Capot Chemical Co., Ltd	+86 (0) 571 85 58 67 18		China	18187	66
Jia Xing Isenchem Co.,Ltd	0573-85285100 18627885956	isenchem@163.com	China	9389	66
Shangchem Co., Ltd.	+86-21-68182121		China	881	52
Pure Chemistry Scientific Inc.	001-857-928-2050 or 1-888-588-9418	sales@chemreagents.com	United States	10174	62
Shanghai Hanhong Scientific Co.,Ltd.	021-54306202 13764082696	info@hanhongsci.com	China	42917	64
Shandong Xiya Chemical Co., Ltd	13355009207 13355009207	3007715519@qq.com	China	18722	57

Supplier	Advantage
Accela ChemBio Co.,Ltd.	58
J & K SCIENTIFIC LTD.	76
Energy Chemical	61
Wuhan Chemwish Technology Co., Ltd	56
Capot Chemical Co., Ltd	66
Jia Xing Isenchem Co.,Ltd	66
Shangchem Co., Ltd.	52
Pure Chemistry Scientific Inc.	62
Shanghai Hanhong Scientific Co.,Ltd.	64
Shandong Xiya Chemical Co., Ltd	57

View Latest Price from 4-Bromo-1-chloroisoquinoline manufacturers

Image	Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
	2019-07-06	4-Bromo-1-chloroisoquinoline 66728-98-1	$8.00	1KG	99%	10tons	Career Henan Chemical Co

4-Bromo-1-chloroisoquinoline
66728-98-1
$8.00
99%
Career Henan Chemical Co

4-Bromo-1-chloroisoquinoline Spectrum

4-Bromo-1-chloroisoquinoline(66728-98-1)¹HNMR

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4-BROMO-1-CHLOROISOQUINOLINE 1-Chloro-4-bromoisoquinoline 4-Bromo-1-chloro-2-azanaphthalene Isoquinoline, 4-bromo-1-chloro- 4-BROMO-1-CHLOROISOQUINOLINE 66728-98-1 66728-98-1 CHIRAL CHEMICALS