4-(Bromomethyl)-2-fluorobenzonitrile

Base Information

Chemical Name:4-(Bromomethyl)-2-fluorobenzonitrile
CAS No.:222978-03-2
Molecular Formula:C8H5BrFN
Molecular Weight:214.037
Hs Code.:2926909090
European Community (EC) Number:801-584-7
DSSTox Substance ID:DTXSID40380954
Wikidata:Q72458231
Mol file:222978-03-2.mol

Synonyms:4-(bromomethyl)-2-fluorobenzonitrile;222978-03-2;4-Cyano-3-fluorobenzyl bromide;4-bromomethyl-2-fluoro-benzonitrile;MFCD03094323;4-Bromomethyl-2-fluorobenzonitrile;4-cyano-3-fluorobenzylbromide;SCHEMBL240133;4-cyano-3-fluoro-benzylbromide;4-cyano-3-fluoro benzyl bromide;DTXSID40380954;4-Bromomethy-2-fluorobenzonitrile;DJOXAJDFHGJTAP-UHFFFAOYSA-N;CK1004;2-Fluoro-4-(bromomethyl)benzonitrile;4-(bromo methyl)-2-fluorobenzonitrile;AKOS009159229;AB13323;AM803540;DS-17062;SY018409;BB 0261981;CS-0001485;FT-0704879;4-(bromomethyl)-2-fluorobenzonitrile, AldrichCPR;A816094

Suppliers and Price of 4-(Bromomethyl)-2-fluorobenzonitrile

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
4-(Bromomethyl)-2-fluorobenzonitrile
1g
$ 50.00

TRC
4-(Bromomethyl)-2-fluorobenzonitrile
10g
$ 160.00

SynQuest Laboratories
4-Cyano-3-fluorobenzyl bromide 98%
25 g
$ 700.00

SynQuest Laboratories
4-Cyano-3-fluorobenzyl bromide 98%
5 g
$ 199.00

SynQuest Laboratories
4-Cyano-3-fluorobenzyl bromide 98%
1 g
$ 61.00

J&W Pharmlab
4-Bromomethyl-2-fluoro-benzonitrile 96%
5g
$ 170.00

Crysdot
4-(Bromomethyl)-2-fluorobenzonitrile 98%
5g
$ 215.00

Biosynth Carbosynth
4-Cyano-3-fluorobenzyl bromide
10 g
$ 700.00

Biosynth Carbosynth
4-Cyano-3-fluorobenzyl bromide
2 g
$ 200.00

Biosynth Carbosynth
4-Cyano-3-fluorobenzyl bromide
5 g
$ 400.00

Total 34 raw suppliers

Chemical Property of 4-(Bromomethyl)-2-fluorobenzonitrile

Chemical Property:

Vapor Pressure:0.00505mmHg at 25°C
Melting Point:44-45 °C
Refractive Index:1.564
Boiling Point:275.6 °C at 760 mmHg
Flash Point:120.5 °C
PSA：23.79000
Density:1.59 g/cm³
LogP:2.59228
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Sensitive.:Lachrymatory
Solubility.:Methanol (Slightly)
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:212.95894
Heavy Atom Count:11
Complexity:174

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)-2-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C,Xn
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1CBr)F)C#N
Uses 4-(Bromomethyl)-2-fluorobenzonitrile is a useful building block for the preparation and optimization of the highly selective GLUT1 inhibitor, BAY-876.

Technology Process of 4-(Bromomethyl)-2-fluorobenzonitrile

There total 15 articles about 4-(Bromomethyl)-2-fluorobenzonitrile 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: 88.79%

: 85070-67-3
2-fluoro-4-methylbenzonitrile

: 222978-03-2
4-cyano-3-fluorobenzylbromide

Guidance literature:: With N-Bromosuccinimide; dibenzoyl peroxide; In chloroform; for 12h; Reflux;

Reference yield: 65.0%

: 2094-98-6
1,1'-azobis (cyclohexanecarbonitrile)

: 85070-67-3
2-fluoro-4-methylbenzonitrile

: 222978-03-2
4-cyano-3-fluorobenzylbromide

Guidance literature:: With N-Bromosuccinimide; sodium thiosulfate; In tetrachloromethane; water;

Reference yield: 65.0%

: 222978-02-1
2-fluoro-4-(hydroxymethyl)benzonitrile

: 222978-03-2
4-cyano-3-fluorobenzylbromide

Guidance literature:: With N-Bromosuccinimide; 2,3-dimercapto-succinic acid; In dichloromethane; at -20 - 20 ℃; for 18h;
DOI:10.1016/S0960-894X(01)00162-7