3-Bromo-5-formylbenzonitrile

Base Information

Chemical Name:3-Bromo-5-formylbenzonitrile
CAS No.:644982-55-8
Molecular Formula:C8H4 Br N O
Molecular Weight:210.03
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90698899
Wikidata:Q82629465
Mol file:644982-55-8.mol

Synonyms:3-Bromo-5-formylbenzonitrile;644982-55-8;3-BROMO-5-CYANOBENZALDEHYDE;Benzonitrile, 3-bromo-5-formyl-;SCHEMBL552453;DTXSID90698899;FKGQJUAOTNPVFD-UHFFFAOYSA-N;MFCD09261040;AB50042;AS-33268;CS-0105500;FT-0707059

Suppliers and Price of 3-Bromo-5-formylbenzonitrile

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

TRC
3-Bromo-5-formylbenzonitrile
250mg
$ 165.00

Matrix Scientific
3-Bromo-5-cyanobenzaldehyde 95+%
250mg
$ 194.00

Matrix Scientific
3-Bromo-5-cyanobenzaldehyde 95+%
500mg
$ 298.00

Matrix Scientific
3-Bromo-5-cyanobenzaldehyde 95+%
1g
$ 458.00

Crysdot
3-Bromo-5-formylbenzonitrile 95+%
1g
$ 455.00

Chemenu
3-Bromo-5-cyanobenzaldehyde 95%
1g
$ 430.00

American Custom Chemicals Corporation
3-BROMO-5-CYANOBENZALDEHYDE 95.00%
5MG
$ 498.36

Alichem
3-Bromo-5-cyanobenzaldehyde
1g
$ 1549.60

AK Scientific
3-Bromo-5-formylbenzonitrile
1g
$ 290.00

Total 10 raw suppliers

Chemical Property of 3-Bromo-5-formylbenzonitrile

Chemical Property:

PSA：40.86000
LogP:2.13328
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:208.94763
Heavy Atom Count:11
Complexity:196

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-5-formylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1C#N)Br)C=O
Uses 3-Bromo-5-formylbenzonitrile is used to prepare substituted (homo)piperidines as NK1 receptor ligands.

Technology Process of 3-Bromo-5-formylbenzonitrile

There total 5 articles about 3-Bromo-5-formylbenzonitrile 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: 91.0%

: 1205515-06-5
3-bromo-5-(hydroxymethyl)benzonitrile

: 644982-55-8
3-bromo-5-formylbenzonitrile

Guidance literature:: With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h; Celite;

Reference yield: 79.0%

: 97165-77-0
3,5-dibromobenzonitrile

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 644982-55-8
3-bromo-5-formylbenzonitrile

Guidance literature:: 3,5-dibromobenzonitrile; With isopropylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;