4-Bromo-2-sulfanylbenzoic acid

Base Information

Chemical Name:4-Bromo-2-sulfanylbenzoic acid
CAS No.:116209-30-4
Molecular Formula:C7H5 Br O2 S
Molecular Weight:233.085
Hs Code.:
European Community (EC) Number:844-813-6
DSSTox Substance ID:DTXSID50586526
Wikidata:Q82478672
Mol file:116209-30-4.mol

Synonyms:4-bromo-2-sulfanylbenzoic acid;116209-30-4;4-BROMO-2-MERCAPTOBENZOIC ACID;Benzoic acid, 4-bromo-2-mercapto-;4-Bromothiosalicylic acid;SCHEMBL2956399;DTXSID50586526;ZHNJGPZUGQGIGC-UHFFFAOYSA-N;MFCD07779496;AKOS017559515;AT20781;MCULE-9013228123;BS-13562;6-METHYL-2-BROMOMETHYLBENZOYLBROMIDE;EN300-114300

Suppliers and Price of 4-Bromo-2-sulfanylbenzoic 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
4-Bromo-2-sulfanylbenzoicAcid
50mg
$ 65.00

American Custom Chemicals Corporation
4-BROMO-2-MERCAPTOBENZOIC ACID 98.00%
10G
$ 1732.50

AK Scientific
4-Bromo-2-sulfanylbenzoicacid
250mg
$ 224.00

AK Scientific
4-Bromo-2-sulfanylbenzoicacid
100mg
$ 189.00

AHH
4-bromo-2-mercaptobenzoicacid 97%
10g
$ 565.00

Total 5 raw suppliers

Chemical Property of 4-Bromo-2-sulfanylbenzoic acid

Chemical Property:

PSA：76.10000
LogP:2.43600
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:231.91936
Heavy Atom Count:11
Complexity:163

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-sulfanylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1Br)S)C(=O)O

Technology Process of 4-Bromo-2-sulfanylbenzoic acid

There total 8 articles about 4-Bromo-2-sulfanylbenzoic 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: 100.0%

: 20776-50-5
2-amino-4-bromobenzoic acid

: 116209-30-4
4-bromo-2-mercaptobenzoic acid

Guidance literature:: 2-amino-4-bromobenzoic acid; With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; at 0 - 6 ℃; for 0.5h;

With potassium acetate; potassium ethyl xanthogenate; In water; at 90 ℃; for 0.5h; Further stages;

Reference yield: 100.0%

: 501378-90-1
4-bromo-2-dimethylcarbamoylsulfanyl-benzoic acid methyl ester

: 116209-30-4
4-bromo-2-mercaptobenzoic acid

Guidance literature:: 4-bromo-2-dimethylcarbamoylsulfanyl-benzoic acid methyl ester; With sodium hydroxide; In water; at 100 ℃; for 14h;

With hydrogenchloride; pH=3;

Reference yield:

: 135484-83-2
2-amino-4-bromo-benzoic acid methyl ester

: 116209-30-4
4-bromo-2-mercaptobenzoic acid

Guidance literature:: 2-amino-4-bromo-benzoic acid methyl ester; With hydrogenchloride; In water; at 80 ℃; for 0.25h;

With sodium nitrite; In water; at 0 ℃; for 2h;

With potassium ethyl xanthogenate; In water; at 65 ℃; for 2.33333h;