17345-77-6,MFCD00869769
Catalog No.:AA001YUW

17345-77-6 | 4-Bromocatechol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$16.00   $12.00
- +
1g
98%
in stock  
$23.00   $16.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
10g
98%
in stock  
$34.00   $24.00
- +
100g
95%
in stock  
$336.00   $235.00
- +
500g
95%
in stock  
$1,646.00   $1,152.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001YUW
Chemical Name:
4-Bromocatechol
CAS Number:
17345-77-6
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
MDL Number:
MFCD00869769
SMILES:
Brc1ccc(c(c1)O)O
Properties
Properties
 
Form:
Solid  
MP:
87 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
97.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]Patent:US2014/274701,2014,A1,.Locationinpatent:Paragraph0264;0265

[1]Patent:US4791139,1988,A,

[1]JournalofFluorineChemistry,1990,vol.48,#2,p.189-205

[1]SyntheticCommunications,2007,vol.37,#2,p.323-328

[2]Organicletters,2002,vol.4,#22,p.3975-3978

[3]Molecules,2014,vol.19,#3,p.3401-3416

[4]Patent:US4791139,1988,A,

[5]LettersinOrganicChemistry,2018,vol.15,#8,p.682-687

[6]Polyhedron,2013,vol.52,p.246-254

[7]JournaloftheSerbianChemicalSociety,2011,vol.76,#5,p.685-692

[8]TetrahedronLetters,2007,vol.48,#7,p.1255-1259

[9]TetrahedronLetters,2003,vol.44,#9,p.1815-1817

[10]JournalofHeterocyclicChemistry,1983,vol.20,p.795-798

[11]ZhurnalObshcheiKhimii,1952,vol.22,p.1594,1597;engl.Ausg.S.1635,1637

[12]ChemischeBerichte,1923,vol.56,p.1265

[13]Tetrahedron,2006,vol.62,#31,p.7257-7265

[14]TetrahedronLetters,2008,vol.49,#1,p.189-194

[1]Patent:CN108821930,2018,A,.Locationinpatent:Paragraph0105-0107

Downstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2019,vol.2019,p.7389-7393

[2]RecueildesTravauxChimiquesdesPays-Bas,1935,vol.54,p.995,999

[1]SyntheticCommunications,2007,vol.37,p.323-328

[2]Organicletters,2002,vol.4,p.3975-3978

[3]Molecules,2014,vol.19,p.3401-3416

[4]Patent:US4791139,1988,A

[5]LettersinOrganicChemistry,2018,vol.15,p.682-687

[6]Polyhedron,2013,vol.52,p.246-254

[7]JournaloftheSerbianChemicalSociety,2011,vol.76,p.685-692

[8]TetrahedronLetters,2007,vol.48,p.1255-1259

[9]TetrahedronLetters,2003,vol.44,p.1815-1817

[10]JournalofHeterocyclicChemistry,1983,vol.20,p.795-798

[11]ZhurnalObshcheiKhimii,1952,vol.22,p.1594,1597;engl.Ausg.S.1635,1637

[12]ChemischeBerichte,1923,vol.56,p.1265

[13]Tetrahedron,2006,vol.62,p.7257-7265

[14]TetrahedronLetters,2008,vol.49,p.189-194

[15]Tetrahedron,2019,vol.75

[1]JournaloftheChemicalSociety.Chemicalcommunications,1994,p.1701-1702

[2]Journaloflabelledcompoundsandradiopharmaceuticals,2010,vol.53,p.605-612

[3]RSCAdvances,2017,vol.7,p.4627-4634

[4]JournalofMaterialsChemistry,2000,vol.10,p.1519-1525

[5]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.2765-2775

[6]JournalofFluorineChemistry,1990,vol.48,p.189-205

[7]Patent:US5254726,1993,A

[8]EuropeanJournalofOrganicChemistry,2011,p.88-99

[9]EuropeanJournalofOrganicChemistry,2008,p.6069-6078

[10]JournalofMaterialsChemistry,1998,vol.8,p.47-51

[11]AdvancedSynthesisandCatalysis,2005,vol.347,p.1527-1532

[12]Patent:WO2005/23740,2005,A2.Locationinpatent:Page/Pagecolumn11

[13]Patent:US2006/30583,2006,A1.Locationinpatent:Page/Pagecolumn126

[14]OrganicLetters,2013,vol.15,p.558-561

[1]JournalofFluorineChemistry,1990,vol.48,p.189-205

[1]Chemistry-AEuropeanJournal,2017,vol.23,p.4149-4159

[2]JournalofMaterialsChemistry,2001,vol.11,p.2801-2807

[3]JournalofMaterialsChemistry,2000,vol.10,p.1519-1525

[4]JournalofMaterialsChemistryC,2018,vol.6,p.4471-4478

[5]Chemistry-AEuropeanJournal,2017,vol.23,p.1686-1693

[6]JournaloftheChemicalSociety.Chemicalcommunications,1994,p.1701-1702

[7]JournalofMaterialsChemistry,2007,vol.17,p.1399-1411

[8]BeilsteinJournalofOrganicChemistry,2012,vol.8,p.275-282

Literature

Title: Enzymatic synthesis of polybrominated dioxins from the marine environment.

Journal: ACS chemical biology 20140919

Title: Rapid halogen substitution and dibenzodioxin formation during tyrosinase-catalyzed oxidation of 4-halocatechols.

Journal: Chemical research in toxicology 20110321

Quotation Request
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Additional Info:
SDS
Historical Records
Tags:17345-77-6 Molecular Formula|17345-77-6 MDL|17345-77-6 SMILES|17345-77-6 4-Bromocatechol
Catalog No.: AA001YUW
17345-77-6,MFCD00869769
17345-77-6 | 4-Bromocatechol
Pack Size: 250mg
Purity: 98%
in stock
$16.00 $12.00
Pack Size: 1g
Purity: 98%
in stock
$23.00 $16.00
Pack Size: 5g
Purity: 98%
in stock
$29.00 $20.00
Pack Size: 10g
Purity: 98%
in stock
$34.00 $24.00
Pack Size: 100g
Purity: 95%
in stock
$336.00 $235.00
Pack Size: 500g
Purity: 95%
in stock
$1,646.00 $1,152.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001YUW
Chemical Name: 4-Bromocatechol
CAS Number: 17345-77-6
Molecular Formula: C6H5BrO2
Molecular Weight: 189.0067
MDL Number: MFCD00869769
SMILES: Brc1ccc(c(c1)O)O
Properties
Form: Solid  
MP: 87 °C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 97.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
17345-77-6    77-76-9    73790-19-9 

[1]Patent:US2014/274701,2014,A1,.Locationinpatent:Paragraph0264;0265

17345-77-6    73790-19-9 

[1]Patent:US4791139,1988,A,

17345-77-6    67-64-1    73790-19-9 

[1]JournalofFluorineChemistry,1990,vol.48,#2,p.189-205

120-80-9    17345-77-6 

[1]SyntheticCommunications,2007,vol.37,#2,p.323-328

[2]Organicletters,2002,vol.4,#22,p.3975-3978

[3]Molecules,2014,vol.19,#3,p.3401-3416

[4]Patent:US4791139,1988,A,

[5]LettersinOrganicChemistry,2018,vol.15,#8,p.682-687

[6]Polyhedron,2013,vol.52,p.246-254

[7]JournaloftheSerbianChemicalSociety,2011,vol.76,#5,p.685-692

[8]TetrahedronLetters,2007,vol.48,#7,p.1255-1259

[9]TetrahedronLetters,2003,vol.44,#9,p.1815-1817

[10]JournalofHeterocyclicChemistry,1983,vol.20,p.795-798

[11]ZhurnalObshcheiKhimii,1952,vol.22,p.1594,1597;engl.Ausg.S.1635,1637

[12]ChemischeBerichte,1923,vol.56,p.1265

[13]Tetrahedron,2006,vol.62,#31,p.7257-7265

[14]TetrahedronLetters,2008,vol.49,#1,p.189-194

7368-78-7    17345-77-6 

[1]Patent:CN108821930,2018,A,.Locationinpatent:Paragraph0105-0107

Downstream Synthesis Route
73790-19-9    17345-77-6 

[1]EuropeanJournalofOrganicChemistry,2019,vol.2019,p.7389-7393

[2]RecueildesTravauxChimiquesdesPays-Bas,1935,vol.54,p.995,999

120-80-9    17345-77-6 

[1]SyntheticCommunications,2007,vol.37,p.323-328

[2]Organicletters,2002,vol.4,p.3975-3978

[3]Molecules,2014,vol.19,p.3401-3416

[4]Patent:US4791139,1988,A

[5]LettersinOrganicChemistry,2018,vol.15,p.682-687

[6]Polyhedron,2013,vol.52,p.246-254

[7]JournaloftheSerbianChemicalSociety,2011,vol.76,p.685-692

[8]TetrahedronLetters,2007,vol.48,p.1255-1259

[9]TetrahedronLetters,2003,vol.44,p.1815-1817

[10]JournalofHeterocyclicChemistry,1983,vol.20,p.795-798

[11]ZhurnalObshcheiKhimii,1952,vol.22,p.1594,1597;engl.Ausg.S.1635,1637

[12]ChemischeBerichte,1923,vol.56,p.1265

[13]Tetrahedron,2006,vol.62,p.7257-7265

[14]TetrahedronLetters,2008,vol.49,p.189-194

[15]Tetrahedron,2019,vol.75

2859-78-1    17345-77-6 

[1]JournaloftheChemicalSociety.Chemicalcommunications,1994,p.1701-1702

[2]Journaloflabelledcompoundsandradiopharmaceuticals,2010,vol.53,p.605-612

[3]RSCAdvances,2017,vol.7,p.4627-4634

[4]JournalofMaterialsChemistry,2000,vol.10,p.1519-1525

[5]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.2765-2775

[6]JournalofFluorineChemistry,1990,vol.48,p.189-205

[7]Patent:US5254726,1993,A

[8]EuropeanJournalofOrganicChemistry,2011,p.88-99

[9]EuropeanJournalofOrganicChemistry,2008,p.6069-6078

[10]JournalofMaterialsChemistry,1998,vol.8,p.47-51

[11]AdvancedSynthesisandCatalysis,2005,vol.347,p.1527-1532

[12]Patent:WO2005/23740,2005,A2.Locationinpatent:Page/Pagecolumn11

[13]Patent:US2006/30583,2006,A1.Locationinpatent:Page/Pagecolumn126

[14]OrganicLetters,2013,vol.15,p.558-561

17345-77-6    67-64-1    73790-19-9 

[1]JournalofFluorineChemistry,1990,vol.48,p.189-205

111-83-1    17345-77-6    291753-67-8 

[1]Chemistry-AEuropeanJournal,2017,vol.23,p.4149-4159

[2]JournalofMaterialsChemistry,2001,vol.11,p.2801-2807

[3]JournalofMaterialsChemistry,2000,vol.10,p.1519-1525

[4]JournalofMaterialsChemistryC,2018,vol.6,p.4471-4478

[5]Chemistry-AEuropeanJournal,2017,vol.23,p.1686-1693

[6]JournaloftheChemicalSociety.Chemicalcommunications,1994,p.1701-1702

[7]JournalofMaterialsChemistry,2007,vol.17,p.1399-1411

[8]BeilsteinJournalofOrganicChemistry,2012,vol.8,p.275-282

Literature fold

Title: Enzymatic synthesis of polybrominated dioxins from the marine environment.

Journal: ACS chemical biology20140919

Title: Rapid halogen substitution and dibenzodioxin formation during tyrosinase-catalyzed oxidation of 4-halocatechols.

Journal: Chemical research in toxicology20110321

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