Catalog No.:AA0033JY

585-76-2 | 3-Bromobenzoic acid

Name: Name:3-Bromobenzoic acid
Brand: AABLOCKS
SKU: AA0033JY
Availability: InStock
Rating: 90 (10 reviews)

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98%

in stock

$6.00 $4.00

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10g

98%

in stock

$8.00 $6.00

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25g

98%

in stock

$16.00 $11.00

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100g

≥98%

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$31.00 $22.00

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500g

≥98%

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$137.00 $96.00

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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature
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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA0033JY

Chemical Name:

3-Bromobenzoic acid

CAS Number:

585-76-2

Molecular Formula:

C7H5BrO2

Molecular Weight:

201.0174

MDL Number:

MFCD00002487

SMILES:

Brc1cccc(c1)C(=O)O

Properties

BP:

308.2°C at 760 mmHg

Form:

Solid

MP:

154-158 °C

Refractive Index:

1.6080 (estimate)

Solubility:

methanol: soluble50mg/mL, clear, colorless

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

136

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.9

Upstream Synthesis Route

1432795-28-2

585-76-2

4467-07-6

[1]EuropeanJournalofMedicinalChemistry,2018,vol.145,p.634-648

585-76-2

4467-07-6

[1]Patent:WO2016/198507,2016,A1,

585-76-2

618-51-9

[1]Patent:WO2004/13094,2004,A2,.Locationinpatent:Page44

[2]ChemicalCommunications,2012,vol.48,#33,p.3993-3995

[3]RussianChemicalBulletin,1995,vol.44,#6,p.1050-1055

[4]IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1995,#6,p.1090-1095

585-76-2

6148-64-7

21575-91-7

[1]RSCAdvances,2018,vol.8,#27,p.15009-15020

585-76-2

591-18-4

[1]Synlett,2018,vol.29,#12,p.1572-1577

[2]Patent:WO2015/68159,2015,A2,.Locationinpatent:Paragraph00215-00216

Downstream Synthesis Route

80-46-6

585-76-2

74525-53-4

[1]Patent:US2511231,1949,

585-76-2

6950-43-2

116529-61-4

[1]JournaloftheChineseChemicalSociety,2014,vol.61,p.1307-1312

[2]JustusLiebigsAnnalenderChemie,1869,vol.149,p.142

[3]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.215,225

[4]JustusLiebigsAnnalenderChemie,1912,vol.388,p.34

[5]JustusLiebigsAnnalenderChemie,1912,vol.388,p.34

[6]RecueildesTravauxChimiquesdesPays-Bas,1901,vol.20,p.215,225

[7]ChemicalCommunications,2010,vol.46,p.4360-4362

[8]AngewandteChemie-InternationalEdition,2018,vol.57,p.13805-13809 Angew.Chem.,2018,vol.130,p.14001-14005,5

585-76-2

23244-87-3

2-(3-Bromo-phenyl)-1H-imidazo4,5-bpyridin-5-ylamine;hydrochloride

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

86650-60-4

22726-00-7

585-76-2

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1983,vol.19,p.675-680 ZhurnalOrganicheskoiKhimii,1983,vol.19,p.766-771

585-76-2

71-43-2

1016-77-9

[1]Patent:CN106748723,2017,A.Locationinpatent:Paragraph0034;0048;0049

[2]JournaloftheAmericanChemicalSociety,1996,vol.118,p.746-754

Literature

Title: Enzymes involved in the anaerobic degradation of meta-substituted halobenzoates.

Journal: Molecular microbiology 20111101

Title: Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.

Journal: Organic & biomolecular chemistry 20110521

Title: In-line coupling of two-phase single drop microextraction and large volume stacking using an electroosmotic flow pump in nonaqueous capillary electrophoresis.

Journal: Journal of chromatography. A 20090911

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

Journal: Journal of hazardous materials 20090615

Title: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromo-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: 3-Bromo-N'-(2-hydroxy-benzyl-idene)benzohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20080201

Title: Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation.

Journal: Chemical & pharmaceutical bulletin 20010101

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