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19806-17-8,MFCD00004341
Catalog No.:AA002B71

19806-17-8 | 1,3-Phenylenediacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$33.00   $23.00
- +
25g
97%
in stock  
$143.00   $100.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002B71
Chemical Name:
1,3-Phenylenediacetic acid
CAS Number:
19806-17-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00004341
SMILES:
OC(=O)Cc1cccc(c1)CC(=O)O
NSC Number:
75867
Properties
Properties
 
BP:
401.6°C at 760 mmHg  
Form:
Solid  
MP:
175-177 °C  
Refractive Index:
1.5430 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1  

Upstream Synthesis Route

[1]OrganicProcessResearchandDevelopment,2011,vol.15,#4,p.871-875

[2]ChemischeBerichte,1987,vol.120,p.411-420

[3]JournaloftheChemicalSociety,1932,p.1477

[4]JournaloftheChemicalSociety,1933,p.1592,1596

[5]JournalfuerPraktischeChemie(Leipzig),1932,vol.<2>135,p.1,4

[6]GazzettaChimicaItaliana,1893,vol.23II,p.337

[7]JournaloftheChemicalSociety,1888,vol.53,p.41

[8]ChemischeBerichte,1888,vol.21,p.42

[9]ChemischeBerichte,1920,vol.53,p.102

[10]Patent:JP6088890,2017,B2,.Locationinpatent:Paragraph0057

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#11.2,p.2101-2104

[2]ZhurnalOrganicheskoiKhimii,1991,vol.27,#11,p.2368-2371

[1]JournaloftheAmericanChemicalSociety,1943,vol.65,p.1339,1345

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#11.2,p.2101-2104

[2]ZhurnalOrganicheskoiKhimii,1991,vol.27,#11,p.2368-2371

[1]JournalofOrganicChemistry,1946,vol.11,p.798,800

Downstream Synthesis Route

[1]KogyoKagakuzasshi/JournaloftheSocietyofChemicalIndustry,1957,vol.60,p.1291,1292    Chem.Abstr.,1959,p.14488

[1]ChemischeBerichte,1920,vol.53,p.599

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1958,vol.246,p.123

[1]JournalofOrganicChemistry,1946,vol.11,p.798,800

[1]OrganicProcessResearchandDevelopment,2011,vol.15,p.871-875

[2]ChemischeBerichte,1987,vol.120,p.411-420

[3]JournaloftheChemicalSociety,1932,p.1477    JournaloftheChemicalSociety,1933,p.1592,1596

[4]JournalfurpraktischeChemie(Leipzig1954),1932,vol.<2>135,p.1,4

[5]GazzettaChimicaItaliana,1893,vol.23II,p.337

[6]ChemischeBerichte,1920,vol.53,p.102

[7]Patent:JP6088890,2017,B2.Locationinpatent:Paragraph0057

Literature

Title: Poly[(μ(2)-1,3-di-4-pyridyl-propane)(μ(3)-1,3-phenyl-enediacetato)-cadmium].

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

Title: Poly[[μ(2)-1,2-bis-(4-pyrid-yl)ethene](μ(3)-1,3-phenyl-enediacetato)-cadmium].

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

Title: Poly[diaqua-tris-(μ(4)-1,3-phenyl-ene-diacetato)-dicerium(III)].

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

Title: Poly[diaqua-tris-(μ(4)-1,3-phenyl-enediacetato)-dineodymium(III)].

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

Title: Quantum chemical computations of 1,3-phenylenediacetic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201

Title: Benzene-1,3-diacetic acid.

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

Title: Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach.

Journal: Bioorganic & medicinal chemistry 20070101

Title: Tetranuclear copper(II) complexes bridged by alpha-D-glucose-1-phosphate and incorporation of sugar acids through the Cu4 core structural changes.

Journal: Inorganic chemistry 20060821

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Tags:19806-17-8 Molecular Formula|19806-17-8 MDL|19806-17-8 SMILES|19806-17-8 1,3-Phenylenediacetic acid