3-Bromo-4-ethylbenzoic acid

Base Information

Chemical Name:3-Bromo-4-ethylbenzoic acid
CAS No.:99548-53-5
Molecular Formula:C9H9BrO2
Molecular Weight:229.073
Hs Code.:2916399090
European Community (EC) Number:821-661-9
DSSTox Substance ID:DTXSID70428510
Wikidata:Q82241341
Mol file:99548-53-5.mol

Synonyms:3-bromo-4-ethylbenzoic acid;99548-53-5;3-bromo-4-ethyl-benzoic Acid;3-Bromo-4-ethylbenzoicacid;SCHEMBL3576069;3-bromanyl-4-ethyl-benzoic acid;DTXSID70428510;XUESCTMXEQFNKI-UHFFFAOYSA-N;BCP20940;ZDA54853;MFCD03819559;STK681665;AKOS015842894;CS-W021861;DS-17824;FT-0659015;C77389;EN300-204167;A846043

Suppliers and Price of 3-Bromo-4-ethylbenzoic 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
3-Bromo-4-ethylbenzoicAcid
100mg
$ 65.00

Crysdot
3-Bromo-4-ethylbenzoicacid 97%
25g
$ 2079.00

Crysdot
3-Bromo-4-ethylbenzoicacid 97%
10g
$ 1188.00

Crysdot
3-Bromo-4-ethylbenzoicacid 97%
5g
$ 609.00

Chemenu
3-bromo-4-ethylbenzoicacid 95+%
5g
$ 660.00

Chemenu
3-bromo-4-ethylbenzoicacid 95+%
1g
$ 234.00

Chemenu
3-bromo-4-ethylbenzoicacid 95+%
10g
$ 1100.00

Chemcia Scientific
3-Bromo-4-ethyl-benzoicacid 95%
1 G
$ 365.00

American Custom Chemicals Corporation
3-BROMO-4-ETHYLBENZOIC ACID 95.00%
50G
$ 4498.73

American Custom Chemicals Corporation
3-BROMO-4-ETHYLBENZOIC ACID 95.00%
1G
$ 1033.73

Total 23 raw suppliers

Chemical Property of 3-Bromo-4-ethylbenzoic acid

Chemical Property:

Melting Point:165℃ (ethanol )
Boiling Point:323.5±35.0 °C(Predicted)
PKA:3.96±0.10(Predicted)
PSA：37.30000
Density:1.517±0.06 g/cm3(Predicted)
LogP:2.70970
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:227.97859
Heavy Atom Count:12
Complexity:170

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-ethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C=C(C=C1)C(=O)O)Br
Uses 3-Bromo-4-ethylbenzoic Acid is used in synthesis of benzocarbacephem and benzocarbapenem derivatives as inactivators of β-lactamases.

Technology Process of 3-Bromo-4-ethylbenzoic acid

There total 4 articles about 3-Bromo-4-ethylbenzoic 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: 99.0%

: 619-64-7
p-ethylbenzoic acid

: 99548-53-5
3-Bromo-4-ethylbenzoic acid

Guidance literature:: With bromine; nitric acid; silver nitrate; acetic acid; In water; at 20 ℃; for 3h;
DOI:10.1016/j.bmcl.2012.11.093

Reference yield: 94.0%

: 10541-83-0,937737-33-2
N-methyl-p-aminobenzoic acid

: 99548-53-5
3-Bromo-4-ethylbenzoic acid

Guidance literature:: N-methyl-p-aminobenzoic acid; With pyridine; In dichloromethane; at 20 ℃; for 1h;

With bromine; In dichloromethane; at -20 ℃; for 5h; Reagent/catalyst; Solvent;