6-Bromoisoquinoline

Base Information Edit

Chemical Name:6-Bromoisoquinoline
CAS No.:34784-05-9
Molecular Formula:C9H6BrN
Molecular Weight:208.057
Hs Code.:29334900
European Community (EC) Number:662-848-3
NSC Number:229320
UNII:LGN4W9EY7G
DSSTox Substance ID:DTXSID10310602
Nikkaji Number:J940.679D
Wikidata:Q72445912
Mol file:34784-05-9.mol

Synonyms:6-bromoisoquinoline;34784-05-9;6-Bromo-isoquinoline;isoquinoline, 6-bromo-;MFCD04973299;NSC-229320;6-bromo isoquinoline;6-Bromoisoqinoline;Brc1ccc2cnccc2c1;NSC229320;LGN4W9EY7G;(Isoquinolin-6-yl)bromide;SCHEMBL484716;6-Bromoisoquinoline monohydrate;DTXSID10310602;BCP29903;CS-D0847;BBL102833;STL556641;AKOS005137974;AC-3304;FS-2187;NSC 229320;PB29336;SY004580;A6104;AM20051103;B4715;FT-0639213;Isoquinoline, 6-bromo-;EN300-85324;W-202425;Z1258567795

Suppliers and Price of 6-Bromoisoquinoline

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
6-Bromoisoquinoline
1g
$ 65.00

TCI Chemical
6-Bromoisoquinoline >98.0%(GC)
1g
$ 38.00

SynQuest Laboratories
6-Bromoisoquinoline
25 g
$ 272.00

SynQuest Laboratories
6-Bromoisoquinoline
1 g
$ 39.00

SynQuest Laboratories
6-Bromoisoquinoline
5 g
$ 74.00

Sigma-Aldrich
6-Bromoisoquinoline monohydrate 97%
1g
$ 86.40

Matrix Scientific
6-Bromoisoquinoline 97%
1g
$ 10.00

Matrix Scientific
6-Bromoisoquinoline 97%
5g
$ 22.00

Labseeker
6-Bromoisoquinoline 96
25g
$ 385.00

J&W Pharmlab
6-Bromo-isoquinoline 97%
1g
$ 28.00

Total 135 raw suppliers

Chemical Property of 6-Bromoisoquinoline Edit

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Melting Point:44.0 to 48.0 °C
Refractive Index:1.674
Boiling Point:312.3 °C at 760 mmHg
PKA:4.83±0.10(Predicted)
Flash Point:142.7 °C
PSA：12.89000
Density:1.564 g/cm³
LogP:2.99730
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:206.96836
Heavy Atom Count:11
Complexity:138

Purity/Quality:

99%, ^*data from raw suppliers

6-Bromoisoquinoline ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 22-36-20/21/22
Safety Statements: 26-36/37/39-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=CN=C2)C=C1Br

Technology Process of 6-Bromoisoquinoline

There total 13 articles about 6-Bromoisoquinoline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

: 226942-29-6
6-bromo-1,2,3,4-tetrahydroisoquinoline

: 34784-05-9
6-bromo-isoquinoline

: 1393714-90-3
6-bromo-3,4-dihydroisoquinoline

Guidance literature:: With sodium carbonate; In ethyl acetate; at 120 ℃; for 24h; Overall yield = 84 %; Sealed tube; Green chemistry;
DOI:10.1002/adsc.201700178

Reference yield: 37.0%

: 4-bromo-2-(2-oxoethyl)benzaldehyde

: 34784-05-9
6-bromo-isoquinoline

Guidance literature:: With ammonium hydroxide;
DOI:10.1016/S0960-894X(02)00026-4

Reference yield: 35.0%

: 1122-91-4
4-bromo-benzaldehyde

: 22483-09-6
2,2-dimethoxyethylamine

: 34784-05-9
6-bromo-isoquinoline

Guidance literature:: 4-bromo-benzaldehyde; 2,2-dimethoxyethylamine; In toluene; for 12h; Reflux; Dean-Stark;

With chloroformic acid ethyl ester; In tetrahydrofuran; at -10 ℃; for 0.166667h; Further stages;