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Thermo Scientific Chemicals
4-Bromobenzoic acid, 97%
CAS: 586-76-5 | C7H5BrO2 | 201.02 g/mol
化学物質識別子
CAS586-76-5
IUPAC Name4-bromobenzoic acid
Molecular FormulaC7H5BrO2
InChI KeyTUXYZHVUPGXXQG-UHFFFAOYSA-N
SMILESOC(=O)C1=CC=C(Br)C=C1
さらに表示
仕様
スペックシート
スペックシートMelting Point (clear melt)248-259°C
FormPowder or crystalline powder
Appearance (Color)White to pale cream or pale yellow
Assay (Aqueous acid-base Titration)≥96.0 to ≤104.0%
Identification (FTIR)Conforms
4-Bromobenzoic acid was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
4-Bromobenzoic acid was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.
Solubility
Slightly soluble in hot water. Soluble in alcohol and ether.
Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.
4-Bromobenzoic acid was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.
Solubility
Slightly soluble in hot water. Soluble in alcohol and ether.
Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.
RUO – Research Use Only
General References:
- Berit Packert Jensen; Christopher J.Smith; Christopher J.Bailey; Colin Rodgers; Ian D.Wilson; Jeremy K.Nicholson. Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry. Rapid Communications in Mass Spectrometry. 2005, 19, (4)519-524
- Nikolai A.Bumagin; Elena V.Luzikova. Palladium catalyzed cross-coupling reaction of Grignard reagents with halobenzoic acids, halophenols and haloanilines. Journal of Organometallic Chemistry. 1997, 532, (1-2)271-273