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186295

Sigma-Aldrich

3-Bromobenzoic acid

98%

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About This Item

Linear Formula:
BrC6H4CO2H
CAS Number:
585-76-2
Molecular Weight:
201.02
Beilstein:
2041792
EC Number:
209-562-3
MDL number:
MFCD00002487
UNSPSC Code:
12352100
PubChem Substance ID:
24851212
NACRES:
NA.22

Assay

98%

mp

155-158 °C (lit.)

solubility

methanol: soluble 50 mg/mL, clear, colorless

SMILES string

OC(=O)c1cccc(Br)c1

InChI

1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChI key

VOIZNVUXCQLQHS-UHFFFAOYSA-N

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Application

3-Bromobenzoic acid was used:
  • as test solute in the determination of acidity constants by capillary zone electrophoresis
  • as internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction
  • in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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S Ness et al.
Biochemistry, 39(18), 5312-5321 (2000-05-23)
Transition state analogue boronic acid inhibitors mimicking the structures and interactions of good penicillin substrates for the TEM-1 beta-lactamase of Escherchia coli were designed using graphic analyses based on the enzyme's 1.7 A crystallographic structure. The synthesis of two of
Susanne Jonsso et al.
Journal of chromatography. A, 963(1-2), 393-400 (2002-08-22)
Retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer were studied by solid-phase extraction of o-phthalic acid and some of its mono- and diesters from purified water and then analysing by GC-MS. The monoesters and phthalic acid were retained
Joan Marc Cabot et al.
Journal of chromatography. A, 1217(52), 8340-8345 (2010-11-23)
A fast method for the determination of acidity constants by CZE has been recently developed. This method is based on the use of an internal standard of pK(a) similar to that of the analyte. In this paper we establish the
Alejandro Fernández-Pumarega et al.
Analytica chimica acta, 1078, 221-230 (2019-07-31)
Determination of the retention factor of ionized compounds in microemulsion electrokinetic chromatography requires two mobility measurements at the same pH: one in the presence of the microemulsion and another in plain buffer. However, it has been observed that in some

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