2-Bromo-5-cyanobenzoic acid

Base Information

Chemical Name:2-Bromo-5-cyanobenzoic acid
CAS No.:845616-12-8
Molecular Formula:C8H4BrNO2
Molecular Weight:226.029
Hs Code.:2926909090
DSSTox Substance ID:DTXSID20693211
Wikidata:Q82622238
Mol file:845616-12-8.mol

Synonyms:2-Bromo-5-cyanobenzoic acid;845616-12-8;Benzoic acid, 2-bromo-5-cyano-;2-bromo-5-cyano-benzoic acid;MFCD11847005;2-Bromo-5-cyanobenzoicacid;2-BROMO-5-CYANOBENOZIC ACID;SCHEMBL2336830;2-bromanyl-5-cyano-benzoic acid;DTXSID20693211;LFMSICZVBGWOIA-UHFFFAOYSA-N;VIB61612;CL9198;AKOS016001742;CS-W019084;DS-3637;2-Bromo-5-cyanobenzoic acid, AldrichCPR;SY110189;FT-0711057;EN300-175695;A840847;Z1269112120

Suppliers and Price of 2-Bromo-5-cyanobenzoic acid

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
2-Bromo-5-cyanobenzoicAcid
50mg
$ 65.00

TRC
2-Bromo-5-cyanobenzoicAcid
100mg
$ 110.00

SynQuest Laboratories
2-Bromo-5-cyanobenzoic acid
100 mg
$ 720.00

Matrix Scientific
2-Bromo-5-cyanobenzoic acid 95%
1g
$ 866.00

Matrix Scientific
2-Bromo-5-cyanobenzoic acid 95%
250mg
$ 370.00

Crysdot
2-Bromo-5-cyanobenzoicacid 95%
1g
$ 282.00

Crysdot
2-Bromo-5-cyanobenzoicacid 95%
5g
$ 988.00

Crysdot
2-Bromo-5-cyanobenzoicacid 95%
10g
$ 1723.00

ChemScene
2-Bromo-5-cyanobenzoicacid
10g
$ 1607.00

ChemScene
2-Bromo-5-cyanobenzoicacid
1g
$ 245.00

Total 16 raw suppliers

Chemical Property of 2-Bromo-5-cyanobenzoic acid

Chemical Property:

Boiling Point:351.982 °C at 760 mmHg
Flash Point:166.673 °C
PSA：61.09000
Density:1.822 g/cm³
LogP:2.01898
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:224.94254
Heavy Atom Count:12
Complexity:233

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-cyanobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)C(=O)O)Br

Technology Process of 2-Bromo-5-cyanobenzoic acid

There total 3 articles about 2-Bromo-5-cyanobenzoic acid 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: 67.0%

: 773837-37-9
sodium cyanide

: 2840-02-0
5-acetamido-2-bromobenzoic acid

: 845616-12-8
2-bromo-5-cyanobenzoic acid

Guidance literature:: 5-acetamido-2-bromobenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.583333h;

sodium cyanide; With copper(l) cyanide; In water; at 60 ℃; for 0.25h;

Reference yield: 67.0%

: 773837-37-9
sodium cyanide

: 2840-02-0
5-acetamido-2-bromobenzoic acid

: copper(l) cyanide

: 845616-12-8
2-bromo-5-cyanobenzoic acid

Guidance literature:: 5-acetamido-2-bromobenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.583333h;

sodium cyanide; copper(l) cyanide; In water; at 60 ℃; for 0.25h;