4-Bromoisoindoline

Base Information

Chemical Name:4-Bromoisoindoline
CAS No.:127168-81-4
Molecular Formula:C8H8BrN
Molecular Weight:198.062
Hs Code.:2933990090
European Community (EC) Number:863-861-9
DSSTox Substance ID:DTXSID90564161
Wikidata:Q72445823
Mol file:127168-81-4.mol

Synonyms:4-Bromoisoindoline;127168-81-4;4-bromo-2,3-dihydro-1H-isoindole;3-Bromo-1H-isoindoline;1H-ISOINDOLE, 4-BROMO-2,3-DIHYDRO-;MFCD09701972;SCHEMBL384797;SCHEMBL384798;DTXSID90564161;AMXFGLZWKBYNGE-UHFFFAOYSA-N;CFA16881;AKOS006330905;MB07470;SB32599;BS-20559;SY240041;CS-0055020;EN300-98932

Suppliers and Price of 4-Bromoisoindoline

Supply Marketing:

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

Matrix Scientific
4-Bromoisoindoline 95+%
1g
$ 908.00

Matrix Scientific
4-Bromoisoindoline 95+%
5g
$ 3249.00

J&W Pharmlab
4-Bromo-2,3-dihydro-1H-isoindole 97%
1g
$ 55.00

J&W Pharmlab
4-Bromo-2,3-dihydro-1H-isoindole 97%
25g
$ 698.00

J&W Pharmlab
4-Bromo-2,3-dihydro-1H-isoindole 97%
5g
$ 195.00

Crysdot
4-Bromoisoindoline 95+%
1g
$ 185.00

Crysdot
4-Bromoisoindoline 95+%
5g
$ 450.00

Chemenu
4-bromoisoindoline 95%
5g
$ 898.00

Chemenu
4-bromoisoindoline 95%
1g
$ 299.00

American Custom Chemicals Corporation
4-BROMOISOINDOLINE 95.00%
0.25G
$ 487.00

Total 38 raw suppliers

Chemical Property of 4-Bromoisoindoline

Chemical Property:

Melting Point:326-328 °C
Refractive Index:1.662
Boiling Point:265.534 °C at 760 mmHg
PKA:8.23±0.20(Predicted)
Flash Point:114.391 °C
PSA：12.03000
Density:1.515 g/cm³
LogP:2.38110
Storage Temp.:2-8°C(protect from light)
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:196.98401
Heavy Atom Count:10
Complexity:126

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromoisoindoline 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(CN1)C(=CC=C2)Br

Technology Process of 4-Bromoisoindoline

There total 2 articles about 4-Bromoisoindoline 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:

: 337536-15-9
4-bromo-2,3-dihydro-isoindol-1-one

: 127168-81-4
4-bromoisoindoline

Guidance literature:: 4-bromo-2,3-dihydro-isoindol-1-one; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃; Heating / reflux;

With hydrogenchloride; water; In tetrahydrofuran; methanol; at 0 ℃; for 3h; Heating / reflux;

With sodium hydroxide; In tetrahydrofuran; methanol; water; pH=> 9;

Reference yield:

: 127168-81-4
4-bromoisoindoline

Guidance literature:

Reference yield: 100.0%

: 127168-81-4
4-bromoisoindoline

: 24424-99-5
di-tert-butyl dicarbonate

: 1035235-27-8
tert-butyl 4-bromo-2,3-dihydro-1H-isoindole-2-carboxylate

Guidance literature:: 4-bromoisoindoline; With triethylamine; In methanol; for 0.0833333h;

di-tert-butyl dicarbonate; In tetrahydrofuran; methanol; at 20 ℃; for 18h;
DOI:10.1021/acs.jmedchem.9b01573