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1878-91-7,MFCD00093070
Catalog No.:AA002GG5

1878-91-7 | 4-Bromophenoxyacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
96%
in stock  
$9.00   $7.00
- +
25g
96%
in stock  
$22.00   $15.00
- +
100g
96%
in stock  
$65.00   $46.00
- +
500g
96%
in stock  
$308.00   $216.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002GG5
Chemical Name:
4-Bromophenoxyacetic acid
CAS Number:
1878-91-7
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00093070
SMILES:
OC(=O)COc1ccc(cc1)Br
NSC Number:
65085
Properties
Properties
 
BP:
337.9°C at 760 mmHg  
Form:
Solid  
MP:
149-153 °C  
Refractive Index:
1.4730 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Luminescence,2018,vol.33,#5,p.855-862

[2]SyntheticCommunications,2004,vol.34,#3,p.377-382

[3]JournalofMolecularStructure,2014,vol.1074,p.487-495

[4]JournalofFluorescence,2015,vol.25,#4,p.849-859

[5]Luminescence,2015,vol.30,#5,p.677-685

[6]JournaloftheAmericanChemicalSociety,1931,vol.53,p.304

[7]JournaloftheAmericanChemicalSociety,1943,vol.65,p.1555

[8]JournaloftheIndianChemicalSociety,1991,vol.68,#6,p.358-359

[9]BioorganicandMedicinalChemistryLetters,2008,vol.18,#16,p.4597-4601

[10]EuropeanJournalofMedicinalChemistry,2009,vol.44,#11,p.4726-4733

[11]Patent:WO2010/10186,2010,A1,.Locationinpatent:Page/Pagecolumn76

[12]JournalofAgriculturalandFoodChemistry,2011,vol.59,#9,p.4801-4813

[13]IndianJournalofHeterocyclicChemistry,2012,vol.21,#3,p.269-272

[14]ResearchonChemicalIntermediates,2016,vol.42,#6,p.5269-5280

[15]EuropeanJournalofMedicinalChemistry,2014,vol.71,p.199-218

[16]BioorganicandMedicinalChemistry,2014,vol.22,#12,p.3180-3186

[17]BioorganicChemistry,2015,vol.59,p.151-167

[18]BioorganicandMedicinalChemistryLetters,2016,vol.26,#24,p.5951-5955

[1]Patent:WO2014/117090,2014,A1,.Locationinpatent:Page/Pagecolumn141-142

[2]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1979,vol.18,p.69-70

[3]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[4]BioorganicandMedicinalChemistry,2011,vol.19,#24,p.7401-7406

[5]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.806-810

[6]EuropeanJournalofOrganicChemistry,2015,vol.2015,#10,p.2197-2204

[7]BioorganicandMedicinalChemistryLetters,2016,vol.26,#10,p.2526-2530

[1]Luminescence,2014,vol.29,#8,p.1113-1122

[2]DyesandPigments,2018,vol.158,p.28-35

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#23,p.5601-5603

[1]MonatsheftefurChemie,2004,vol.135,#1,p.83-87

[2]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1982,vol.21,#2,p.154-156

[3]BioorganicandMedicinalChemistryLetters,2014,vol.24,#16,p.3732-3735

Downstream Synthesis Route

[1]JournalfurpraktischeChemie(Leipzig1954),1879,vol.<2>19,p.396

[1]Patent:WO2014/117090,2014,A1.Locationinpatent:Page/Pagecolumn141-142

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1979,vol.18,p.69-70

[3]JournalofMedicinalChemistry,2007,vol.50,p.1675-1684

[4]BioorganicandMedicinalChemistry,2011,vol.19,p.7401-7406

[5]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.806-810

[6]EuropeanJournalofOrganicChemistry,2015,vol.2015,p.2197-2204

[7]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.2526-2530

[1]CollectionofCzechoslovakChemicalCommunications,1967,vol.32,p.1197-1209

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1979,vol.18,p.69-70

[1]PharmaceuticalChemistryJournal,1986,vol.20,p.555-558    Khimiko-FarmatsevticheskiiZhurnal,1986,vol.20,p.952-956

Literature

Title: FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070301

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Tags:1878-91-7 Molecular Formula|1878-91-7 MDL|1878-91-7 SMILES|1878-91-7 4-Bromophenoxyacetic acid
Catalog No.: AA002GG5
1878-91-7,MFCD00093070
1878-91-7 | 4-Bromophenoxyacetic acid
Pack Size： 10g
Purity： 96%
in stock
$9.00 $7.00
Pack Size： 25g
Purity： 96%
in stock
$22.00 $15.00
Pack Size： 100g
Purity： 96%
in stock
$65.00 $46.00
Pack Size： 500g
Purity： 96%
in stock
$308.00 $216.00
Quantity
- +
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Technical Information
Catalog Number: AA002GG5
Chemical Name: 4-Bromophenoxyacetic acid
CAS Number: 1878-91-7
Molecular Formula: C8H7BrO3
Molecular Weight: 231.0434
MDL Number: MFCD00093070
SMILES: OC(=O)COc1ccc(cc1)Br
NSC Number: 65085
Properties
BP: 337.9°C at 760 mmHg  
Form: Solid  
MP: 149-153 °C  
Refractive Index: 1.4730 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 152  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 2.4  
Upstream Synthesis Route
106-41-2    79-11-8    1878-91-7 

[1]Luminescence,2018,vol.33,#5,p.855-862

[2]SyntheticCommunications,2004,vol.34,#3,p.377-382

[3]JournalofMolecularStructure,2014,vol.1074,p.487-495

[4]JournalofFluorescence,2015,vol.25,#4,p.849-859

[5]Luminescence,2015,vol.30,#5,p.677-685

[6]JournaloftheAmericanChemicalSociety,1931,vol.53,p.304

[7]JournaloftheAmericanChemicalSociety,1943,vol.65,p.1555

[8]JournaloftheIndianChemicalSociety,1991,vol.68,#6,p.358-359

[9]BioorganicandMedicinalChemistryLetters,2008,vol.18,#16,p.4597-4601

[10]EuropeanJournalofMedicinalChemistry,2009,vol.44,#11,p.4726-4733

[11]Patent:WO2010/10186,2010,A1,.Locationinpatent:Page/Pagecolumn76

[12]JournalofAgriculturalandFoodChemistry,2011,vol.59,#9,p.4801-4813

[13]IndianJournalofHeterocyclicChemistry,2012,vol.21,#3,p.269-272

[14]ResearchonChemicalIntermediates,2016,vol.42,#6,p.5269-5280

[15]EuropeanJournalofMedicinalChemistry,2014,vol.71,p.199-218

[16]BioorganicandMedicinalChemistry,2014,vol.22,#12,p.3180-3186

[17]BioorganicChemistry,2015,vol.59,p.151-167

[18]BioorganicandMedicinalChemistryLetters,2016,vol.26,#24,p.5951-5955

6964-29-0    1878-91-7 

[1]Patent:WO2014/117090,2014,A1,.Locationinpatent:Page/Pagecolumn141-142

[2]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1979,vol.18,p.69-70

[3]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[4]BioorganicandMedicinalChemistry,2011,vol.19,#24,p.7401-7406

[5]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.806-810

[6]EuropeanJournalofOrganicChemistry,2015,vol.2015,#10,p.2197-2204

[7]BioorganicandMedicinalChemistryLetters,2016,vol.26,#10,p.2526-2530

106-41-2    3926-62-3    1878-91-7 

[1]Luminescence,2014,vol.29,#8,p.1113-1122

[2]DyesandPigments,2018,vol.158,p.28-35

10265-68-6    1878-91-7 

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#23,p.5601-5603

4841-23-0    1878-91-7 

[1]MonatsheftefurChemie,2004,vol.135,#1,p.83-87

[2]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1982,vol.21,#2,p.154-156

[3]BioorganicandMedicinalChemistryLetters,2014,vol.24,#16,p.3732-3735

Downstream Synthesis Route
2555-49-9    1878-91-7 

[1]JournalfurpraktischeChemie(Leipzig1954),1879,vol.<2>19,p.396

6964-29-0    1878-91-7 

[1]Patent:WO2014/117090,2014,A1.Locationinpatent:Page/Pagecolumn141-142

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1979,vol.18,p.69-70

[3]JournalofMedicinalChemistry,2007,vol.50,p.1675-1684

[4]BioorganicandMedicinalChemistry,2011,vol.19,p.7401-7406

[5]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.806-810

[6]EuropeanJournalofOrganicChemistry,2015,vol.2015,p.2197-2204

[7]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.2526-2530

1878-91-7    120-20-7    5597-11-5 

[1]CollectionofCzechoslovakChemicalCommunications,1967,vol.32,p.1197-1209

1878-91-7    104-78-9    71475-48-4 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1979,vol.18,p.69-70

1878-91-7    102-71-6    67026-09-9 

[1]PharmaceuticalChemistryJournal,1986,vol.20,p.555-558    Khimiko-FarmatsevticheskiiZhurnal,1986,vol.20,p.952-956

Literature fold

Title: FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20070301

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