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Home Fluorides 1583-58-0
1583-58-0,MFCD00011670
Catalog No.:AA001Q11

1583-58-0 | 2,4-Difluorobenzoic acid

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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$13.00   $9.00
- +
100g
98%
in stock  
$38.00   $27.00
- +
500g
98%
in stock  
$113.00   $79.00
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  • 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:
AA001Q11
Chemical Name:
2,4-Difluorobenzoic acid
CAS Number:
1583-58-0
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00011670
SMILES:
Fc1ccc(c(c1)F)C(=O)O
NSC Number:
10312
Properties
Properties
 
BP:
239.5°C at 760 mmHg  
Form:
Solid  
MP:
186-190 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
161  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Upstream Synthesis Route

[1]AdvancedSynthesisandCatalysis,2005,vol.347,#7-8,p.1027-1034

[1]Patent:CN106854165,2017,A,

[1]JournalofLabelledCompoundsandRadiopharmaceuticals,2001,vol.44,p.S393-S395

[2]Patent:WO2015/51725,2015,A1,.Locationinpatent:Page/Pagecolumn77

[3]Patent:WO2015/73342,2015,A1,.Locationinpatent:Page/Pagecolumn85;86

[1]JournalofOrganicChemistry,1990,vol.55,#2,p.773-775

[2]JournalofOrganicChemistry,1990,vol.55,#2,p.773-775

[1]JournaloftheChemicalSociety-PerkinTransactions1,1996,#7,p.605-609

Downstream Synthesis Route

[1]MonatsheftefurChemie,1959,vol.90,p.683,687

[1]JournalofOrganicChemistry,1990,vol.55,p.773-775

[2]JournalofOrganicChemistry,1990,vol.55,p.773-775

[1]JournalofOrganicChemistry,1990,vol.55,p.2034-2044

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.1047-1049

[2]Patent:US2006/223810,2006,A1.Locationinpatent:Page/Pagecolumn23

[3]Patent:WO2006/21448,2006,A1.Locationinpatent:Page/Pagecolumn59

[4]Patent:US2010/324030,2010,A1.Locationinpatent:Page/Pagecolumn11

[5]Patent:CN108218848,2018,A.Locationinpatent:Paragraph0167-0169

[1]JournalofMedicinalChemistry,2012,vol.55,p.4189-4204

[2]JournalofMedicinalChemistry,1982,vol.25,p.84-86

[3]Patent:CN108947868,2018,A.Locationinpatent:Paragraph0039;0044;0047-0048

[4]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.954-959

[5]JournalofMolecularStructure,2006,vol.788,p.63-71

[6]JournalofMedicinalChemistry,2006,vol.49,p.4512-4516

[7]JournalofFluorineChemistry,2007,vol.128,p.641-646

[8]BioorganicandMedicinalChemistry,2006,vol.14,p.8574-8581

[9]Patent:EP1000059,2004,B1.Locationinpatent:Page33

[10]Patent:US6831079,2004,B1.Locationinpatent:Page/Pagecolumn62

[11]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.3936-3940

[12]Patent:US2012/238587,2012,A1.Locationinpatent:Page/Pagecolumn23

[13]BioorganicandMedicinalChemistry,2013,vol.21,p.2843-2855

[14]ChemicalCommunications,2013,vol.49,p.5313-5315

[15]ArchivderPharmazie,2013,vol.346,p.521-533

[16]Patent:WO2014/28968,2014,A1.Locationinpatent:Page/Pagecolumn100

[17]BioorganicandMedicinalChemistry,2014,vol.22,p.3670-3683

[18]Patent:US2015/266825,2015,A1.Locationinpatent:Paragraph1245;1246

[19]BioorganicandMedicinalChemistry,2016,vol.24,p.2307-2317

[20]OrganicLetters,2016,vol.18,p.5536-5539

[21]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.393-397

[22]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.139-155

[23]Patent:CN106854165,2017,A.Locationinpatent:Paragraph0099;0100;0101;0132;0133

[24]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.197-209

[25]AngewandteChemie-InternationalEdition,2018,vol.57,p.15762-15766    Angew.Chem.,2018,vol.130,p.15988-15992,5

[26]BioorganicChemistry,2020,vol.102

[27]Patent:CN111377934,2020,A.Locationinpatent:Paragraph0333-0335

Literature

Title: Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901

Title: 2-(4-Chloro-phen-yl)-2-oxoethyl 2,4-di-fluoro-benzoate.

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

Title: Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,2'-bipyridine)(2,4-difluoro-benzoato)terbium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,4-difluoro-benzoato)(1,10-phenanthroline)gadolinium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: Pharmacological evaluation of C-3 modified Betulinic acid derivatives with potent anticancer activity.

Journal: Investigational new drugs 20080201

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