3-Bromobenzoic acid

Base Information Edit

Chemical Name:3-Bromobenzoic acid
CAS No.:585-76-2
Deprecated CAS:2375204-50-3
Molecular Formula:C7H5BrO2
Molecular Weight:201.019
Hs Code.:29163990
European Community (EC) Number:209-562-3
NSC Number:32739,3980
UNII:7DCT3A73LX
DSSTox Substance ID:DTXSID8060408
Nikkaji Number:J94.962K
Wikidata:Q18472675
Metabolomics Workbench ID:169784
ChEMBL ID:CHEMBL63399
Mol file:585-76-2.mol

Synonyms:3-BROMOBENZOIC ACID;585-76-2;m-Bromobenzoic acid;3-BROMBENZOIC ACID;Benzoic acid, 3-bromo-;Benzoic acid, m-bromo-;3-Bromo-benzoic acid;MFCD00002487;NSC 3980;UNII-7DCT3A73LX;7DCT3A73LX;NSC-3980;EINECS 209-562-3;NSC 32739;NSC-32739;AI3-08854;3-Bromobenzoicacid;5-bromobenzoic acid;meta bromobenzoic acid;SCHEMBL5023;3-Bromobenzoic acid, 98%;NCIOpen2_009262;3-BROMO BENZOIC ACID;3-Bromobenzenecarboxylic acid;3-bromophenyl carboxylic acid;BENZOIC ACID,2-BROMO;META-BROMOBENZOIC ACID;CHEMBL63399;DTXSID8060408;NSC3980;CHEBI:166850;NSC32739;BBL025793;NSC 83519;STL377873;AKOS000119769;AM81264;CS-W019787;PS-5402;NCGC00246888-01;NCGC00246888-02;SY001482;B0551;FT-0607488;FT-0615203;EN300-19857;A23766;AB00973544-04;J-511779;W-105382;Q18472675;F2191-0078;Z104475790

Suppliers and Price of 3-Bromobenzoic acid

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

TRC
3-Bromobenzoic Acid
10 g
$ 50.00

TCI Chemical
3-Bromobenzoic Acid >98.0%(GC)(T)
25g
$ 52.00

TCI Chemical
3-Bromobenzoic Acid >98.0%(GC)(T)
250g
$ 297.00

SynQuest Laboratories
3-Bromobenzoic acid 99%
100 g
$ 125.00

SynQuest Laboratories
3-Bromobenzoic acid 99%
25 g
$ 42.00

Sigma-Aldrich
3-Bromobenzoic acid 98%
25g
$ 55.00

Oakwood
3-Bromobenzoic Acid 99%
100g
$ 58.00

Medical Isotopes, Inc.
3-Bromobenzoic Acid
50 g
$ 690.00

Medical Isotopes, Inc.
3-Bromobenzoic Acid
1 g
$ 600.00

Matrix Scientific
3-Bromobenzoic acid 95%+
1g
$ 101.00

Total 159 raw suppliers

Chemical Property of 3-Bromobenzoic acid Edit

Chemical Property:

Appearance/Colour:White to light yellow crystal powder
Vapor Pressure:0.0003mmHg at 25°C
Melting Point:154-158 °C
Refractive Index:1.6080 (estimate)
Boiling Point:308.2 °C at 760 mmHg
PKA:3.86(at 25℃)
Flash Point:140.2 °C
PSA：37.30000
Density:1.701 g/cm³
LogP:2.14730
Storage Temp.:-20°C
Solubility.:methanol: soluble50mg/mL, clear, colorless
Water Solubility.:0.54 g/L (32 ºC)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.94729
Heavy Atom Count:10
Complexity:136

Purity/Quality:

99% ^*data from raw suppliers

3-Bromobenzoic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38-37/38-36
Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Benzoic Acid Derivatives
Canonical SMILES:C1=CC(=CC(=C1)Br)C(=O)O
Uses 3-Bromobenzoic acid was used as test solute in the determination of acidity constants by capillary zone electrophoresis. It was used as internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction. It was also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide.

Technology Process of 3-Bromobenzoic acid

There total 109 articles about 3-Bromobenzoic 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%

: 6952-59-6
3-cyanobromobenzene

: 585-76-2
m-bromobenzoic acid

Guidance literature:: With sodium hydroxide; carbon monoxide; bis(benzonitrile)palladium(II) dichloride; triphenylphosphine; In xylene; at 90 ℃; for 4h;