2-Bromobenzonitrile

Base Information Edit

Chemical Name:2-Bromobenzonitrile
CAS No.:2042-37-7
Molecular Formula:C7H4BrN
Molecular Weight:182.019
Hs Code.:29269095
European Community (EC) Number:218-045-1
NSC Number:59730
UNII:8LSJ4JR86W
DSSTox Substance ID:DTXSID50174366
Nikkaji Number:J126.353F
Wikidata:Q72451682
ChEMBL ID:CHEMBL3248212
Mol file:2042-37-7.mol

Synonyms:2-bromobenzonitrile

Suppliers and Price of 2-Bromobenzonitrile

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

TCI Chemical
2-Bromobenzonitrile >98.0%(GC)
25g
$ 98.00

TCI Chemical
2-Bromobenzonitrile >98.0%(GC)
10g
$ 40.00

SynQuest Laboratories
2-Bromobenzonitrile 99%
100 g
$ 138.00

Sigma-Aldrich
2-Bromobenzonitrile 99%
1g
$ 27.80

Sigma-Aldrich
2-Bromobenzonitrile 99%
10g
$ 105.00

Oakwood
2-Bromobenzonitrile
100g
$ 50.00

Oakwood
2-Bromobenzonitrile
5g
$ 12.00

Oakwood
2-Bromobenzonitrile
25g
$ 20.00

Matrix Scientific
2-Bromobenzonitrile 98%
25g
$ 13.00

Matrix Scientific
2-Bromobenzonitrile 98%
100g
$ 43.00

Total 144 raw suppliers

Chemical Property of 2-Bromobenzonitrile Edit

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:0.0198mmHg at 25°C
Melting Point:53-57 °C(lit.)
Refractive Index:1.606
Boiling Point:252 °C at 760 mmHg
Flash Point:113.7 °C
PSA：23.79000
Density:1.6 g/cm³
LogP:2.32078
Storage Temp.:Store below +30°C.
Solubility.:10.5g/l
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:180.95271
Heavy Atom Count:9
Complexity:135

Purity/Quality:

99% ^*data from raw suppliers

2-Bromobenzonitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 22-36/37/38-20/21/22
Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)Br
Uses 2-Bromobenzonitrile belongs to a group of ortho-substituted bromobenzenes that have varying hepatotoxicity effects in the presence of rat liver microsomes in vitro. 2-Bromobenzonitrile is also used as a starting material to synthesize novel benzothiophene derivatives that were found to exhibit antibacterial and antifungal activity. It is commonly employed in reactions that require an electron-rich species to carry out nucleophilic substitution (or addition) reactions.

Technology Process of 2-Bromobenzonitrile

There total 55 articles about 2-Bromobenzonitrile 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: 97.0%

: 95-46-5
2-methylphenyl bromide

: 2042-37-7
o-cyanobromobenzene

Guidance literature:: 2-methylphenyl bromide; With hydrogen bromide; dihydrogen peroxide; In tetrachloromethane; water; at 20 ℃; for 1h; Irradiation;

With ammonia; iodine; In tetrachloromethane; water; acetonitrile; at 20 - 60 ℃; for 24h;
DOI:10.1002/ejoc.201402270

Reference yield: 97.0%

: 1245648-93-4
2-bromo-6-iodobenzonitrile

: 2042-37-7
o-cyanobromobenzene

Guidance literature:: With formic acid; tributyl-amine; 1,1′-(10-(4-acetylphenyl)-10H-phenothiazine-3,7-diyl)bis(ethan-1-one); In acetonitrile; at 23 ℃; for 24h; chemoselective reaction; UV-irradiation;
DOI:10.1021/acs.joc.6b01034

Reference yield: 95.0%

: 4001-73-4
2-Bromobenzamide

: 2042-37-7
o-cyanobromobenzene

Guidance literature:: With oxalyl dichloride; triethylamine; Triphenylphosphine oxide; In acetonitrile; at 20 ℃; for 0.166667h;
DOI:10.1021/acs.orglett.7b03862