Home Bromides 586-76-5
586-76-5,MFCD01863784
Catalog No.:AA0033VD

586-76-5 | 4-Bromobenzoic acid

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25g
97%
in stock  
$16.00   $11.00
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100g
97%
in stock  
$42.00   $29.00
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500g
97%
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$77.00   $54.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033VD
Chemical Name:
4-Bromobenzoic acid
CAS Number:
586-76-5
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD01863784
SMILES:
OC(=O)c1ccc(cc1)Br
NSC Number:
17582
Properties
Properties
 
BP:
299.8°C at 760 mmHg  
Form:
Solid  
MP:
252-254 °C(lit.)  
Refractive Index:
1.6080 (estimate)  
Solubility:
ethanol: soluble5%  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
128  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.9  

Upstream Synthesis Route

[1]AngewandteChemie,InternationalEdition,2009,vol.48,#33,p.6097-6100

[2]AngewandteChemie,2009,vol.121,#33,p.6213-6216

[1]MedChemComm,2013,vol.4,#2,p.443-449

[2]Patent:US2013/158031,2013,A1,

[1]Patent:JP2015/67561,2015,A,.Locationinpatent:Paragraph0029

[1]JournalofMaterialsChemistry,2010,vol.20,#45,p.10113-10119

[1]JournalofMaterialsChemistryC,2014,vol.2,#46,p.9858-9865

Downstream Synthesis Route

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1897,vol.125,p.718

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1998,vol.37,p.88-90

[2]JournalfurpraktischeChemie(Leipzig1954),1935,vol.<2>142,p.125,133

2001-29-8    98-86-2    586-76-5   
3-benzoyl-1,5-bis-(4-bromo-phenyl)-2,4-diphenyl-pentane-1,5-dione 

[1]JournaloftheChemicalSociety,1937,p.844,847

[1]JournalofChemicalResearch,Miniprint,1984,p.3485-3497

[2]JournaloftheIndianChemicalSociety,1980,vol.57,p.640-642

[1]JournalofHeterocyclicChemistry,1980,vol.17,p.1757-1760

Literature

Title: Synthesis and biological activity of both enantiomers of kujigamberol isolated from 85-million-years-old Kuji amber.

Journal: Bioorganic & medicinal chemistry letters 20120701

Title: Bicyclo-[2.2.1]hept-2-en-7-yl 4-bromo-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20120701

Title: Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides.

Journal: Journal of the American Chemical Society 20120411

Title: 4-Bromo-benzoic acid-6-(4-bromo-phen-yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: catena-Poly[[[bis-(4-bromo-benzoato-κO)zinc]-μ-1,2-bis-(4-pyrid-yl)ethene-κN:N'] acetonitrile monosolvate].

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Bis(μ-4-bromo-benzoato)-κO,O':O';O:O,O'-bis-[μ-1,3-bis-(pyridin-4-yl)propane-κN:N']bis-[(4-bromo-benzoato-κO,O')cadmium].

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)copper(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Di-μ-nicotinamide-κN:O;κO:N-bis-[aqua-bis-(4-bromo-benzoato)-κO;κO,O'-manganese(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Diaqua-bis-(4-bromo-benzoato-κO)bis-(nicotinamide-κN)copper(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Bis(μ-methano-lato-κO:O)bis-{[4-bromo-N'-(1-methyl-3-oxidobut-2-en-1-yl-idene-κO)benzohydrazidato-κN',O]oxido-vanadium(V)}.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: 2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: 4-Bromobenzoyl 4-bromobenzoate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Kinetic and rheological measurements of the effects of inert 2-, 3- and 4-bromobenzoate ions on the cationic micellar-mediated rate of piperidinolysis of ionized phenyl salicylate.

Journal: Journal of colloid and interface science 20110501

Title: Cytotoxic pentacyclic and tetracyclic aromatic sesquiterpenes from Phomopsis archeri.

Journal: Journal of natural products 20110425

Title: [(2R,5R,6S,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro-[4.5]decan-2-yl]methyl 4-bromo-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Tetra-aqua(2,2'-bipyridine-κN,N')magnesium(II) bis-(4-bromo-benzoate).

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: (4-Bromo-phen-yl)(3,6-dimeth-oxy-2-naphth-yl)methanone.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Packing behaviour of two predominant anionic phospholipids of bacterial cytoplasmic membranes.

Journal: Biophysical chemistry 20100801

Title: Tris(1,10-phenanthroline-κN,N')zinc(II) bis-(4-bromo-benzoate) 6.5-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: Preparation and utility of trihaloethyl imidates: useful reagents for the synthesis of amidines.

Journal: The Journal of organic chemistry 20100205

Title: Bis(4-bromo-benzo-yl)(2,7-dimethoxy-naphthalene-1,8-di-yl)dimethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata.

Journal: Journal of hazardous materials 20090615

Title: Diaquabis(4-bromo-benzoato-κO)-bis(N,N'-diethyl-nicotinamide-κN)zinc(II).

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Synthesis, anti-bacterial, anti-asthmatic and anti-diabetic activities of novel N-substituted-2-(4-phenylethynyl-phenyl)-1H-benzimidazoles and N-substituted 2[4-(4,4-dimethyl-thiochroman-6-yl-ethynyl)-phenyl)-1H-benzimidazoles.

Journal: European journal of medicinal chemistry 20080501

Title: (R)-1-(4-Bromo-benzo-yl)-4-(1-phenyl-prop-yl)thio-semicarbazide.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: Identification of genes coding for hydrolytic dehalogenation in the metagenome derived from a denitrifying 4-chlorobenzoate degrading consortium.

Journal: FEMS microbiology letters 20080401

Title: Layered double hydroxide intercalated with p-methylbenzoate and p-bromobenzoate: molecular simulations and XRD analysis.

Journal: Journal of colloid and interface science 20080301

Title: Diaqua-bis(4-bromo-benzoato-κO,O')zinc(II).

Journal: Acta crystallographica. Section E, Structure reports online 20080301

Title: Method to determine enantiomeric excess of glucose by nonchiral high-performance liquid chromatography using circular dichroism detection.

Journal: Journal of chromatography. A 20080201

Title: Toward a magnetostructural correlation for a family of Mn6 SMMs.

Journal: Journal of the American Chemical Society 20071017

Title: Cellular processing in the SW1222 cell line of mAb A33 directly and indirectly radiohalogenated.

Journal: Oncology reports 20060701

Title: NaIO4-mediated selective oxidation of alkylarenes and benzylic bromides/alcohols to carbonyl derivatives using water as solvent.

Journal: The Journal of organic chemistry 20060623

Title: Inhibitory effects of 4-halobenzoic acids on the diphenolase and monophenolase activity of mushroom tyrosinase.

Journal: The protein journal 20040701

Title: Isolation and characterization of a lipoxygenase from Pseudomonas 42A2 responsible for the biotransformation of oleic acid into ( S )-( E )-10-hydroxy-8-octadecenoic acid.

Journal: Antonie van Leeuwenhoek 20040201

Title: Isolation and structure elucidation of Sch 642305, a novel bacterial DNA primase inhibitor produced by Penicillium verrucosum.

Journal: Journal of natural products 20031201

Title: Glochidionionosides A-D: megastigmane glucosides from leaves of Glochidion zeylanicum (Gaertn.) A. Juss.

Journal: Chemical & pharmaceutical bulletin 20030301

Title: Characterization of bacterial consortia capable of degrading 4-chlorobenzoate and 4-bromobenzoate under denitrifying conditions.

Journal: FEMS microbiology letters 20020806

Title: Aromatase inhibitory activities of standishinal and the diterpenoids from the bark of Thuja standishii.

Journal: Planta medica 20020801

Title: pi-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010901

Title: Preparative chiral liquid chromatography for enantiomeric separation of pheromones.

Journal: Journal of chemical ecology 20010301

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Tags:586-76-5 Molecular Formula|586-76-5 MDL|586-76-5 SMILES|586-76-5 4-Bromobenzoic acid |Organic_Building_Blocks