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405-79-8,MFCD00004304
Catalog No.:AA003LD2

405-79-8 | 4-Fluorophenoxyacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
≥98%
in stock  
$16.00   $11.00
- +
25g
≥98%
in stock  
$25.00   $17.00
- +
100g
≥98%
in stock  
$79.00   $55.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LD2
Chemical Name:
4-Fluorophenoxyacetic acid
CAS Number:
405-79-8
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD00004304
SMILES:
OC(=O)COc1ccc(cc1)F
NSC Number:
49589
Properties
Properties
 
BP:
295.2°C at 760 mmHg  
Form:
Solid  
MP:
104-104.5 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

[1]JournalofMedicinalChemistry,2013,vol.56,p.3783-3805

[2]Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,p.2135-2145

[3]JournaloftheAmericanChemicalSociety,1955,vol.77,p.3924

[4]JournalofMedicinalChemistry,1996,vol.39,p.1039-1048

[5]JournalofMedicinalChemistry,2004,vol.47,p.2157-2165

[6]Tetrahedron,2004,vol.60,p.12231-12237

[7]Patent:US4620867,1986,A

[8]Patent:US4479900,1984,A

[9]Patent:WO2007/97871,2007,A2.Locationinpatent:Page/Pagecolumn14

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

[11]JournalofMedicinalChemistry,2010,vol.53,p.2038-2050

[12]JournalofFluorineChemistry,2012,vol.142,p.24-28

[13]Phosphorus,SulfurandSiliconandtheRelatedElements,2013,vol.188,p.663-671

[14]JournalofHeterocyclicChemistry,2015,vol.52,p.173-179

[15]JournalofHeterocyclicChemistry,2016,vol.53,p.183-187

[16]JournalofHeterocyclicChemistry,2017,vol.54,p.1506-1513

[17]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.3931-3938

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

[2]Patent:US4170597,1979,A

[3]Patent:US4085272,1978,A

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

[2]JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97

Literature

Title: Burton R. Anderson. et al. Control of Annual Bluegrass and Crabgrass in Turf with Fluorophenoxyacetic Acids. Weed Science. January 1958 , pp. 52-58.

Title: Wanwan Wang, et al. Induction of Defense in Cereals by 4-fluorophenoxyacetic Acid Suppresses Insect Pest Populations and Increases Crop Yields in the Field. Proc Natl Acad Sci U S A. 2020 Jun 2;117(22):12017-12028.

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SDS
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Tags:405-79-8 Molecular Formula|405-79-8 MDL|405-79-8 SMILES|405-79-8 4-Fluorophenoxyacetic acid
Catalog No.: AA003LD2
405-79-8,MFCD00004304
405-79-8 | 4-Fluorophenoxyacetic acid
Pack Size： 5g
Purity： ≥98%
in stock
$16.00 $11.00
Pack Size： 25g
Purity： ≥98%
in stock
$25.00 $17.00
Pack Size： 100g
Purity： ≥98%
in stock
$79.00 $55.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LD2
Chemical Name: 4-Fluorophenoxyacetic acid
CAS Number: 405-79-8
Molecular Formula: C8H7FO3
Molecular Weight: 170.1378
MDL Number: MFCD00004304
SMILES: OC(=O)COc1ccc(cc1)F
NSC Number: 49589
Properties
BP: 295.2°C at 760 mmHg  
Form: Solid  
MP: 104-104.5 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 152  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
111-87-5    405-79-8    1542-86-5 

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

405-79-8    405-78-7 

[1]JournalofMedicinalChemistry,2013,vol.56,p.3783-3805

[2]Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,p.2135-2145

[3]JournaloftheAmericanChemicalSociety,1955,vol.77,p.3924

[4]JournalofMedicinalChemistry,1996,vol.39,p.1039-1048

[5]JournalofMedicinalChemistry,2004,vol.47,p.2157-2165

[6]Tetrahedron,2004,vol.60,p.12231-12237

[7]Patent:US4620867,1986,A

[8]Patent:US4479900,1984,A

[9]Patent:WO2007/97871,2007,A2.Locationinpatent:Page/Pagecolumn14

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

[11]JournalofMedicinalChemistry,2010,vol.53,p.2038-2050

[12]JournalofFluorineChemistry,2012,vol.142,p.24-28

[13]Phosphorus,SulfurandSiliconandtheRelatedElements,2013,vol.188,p.663-671

[14]JournalofHeterocyclicChemistry,2015,vol.52,p.173-179

[15]JournalofHeterocyclicChemistry,2016,vol.53,p.183-187

[16]JournalofHeterocyclicChemistry,2017,vol.54,p.1506-1513

[17]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.3931-3938

405-79-8    777-87-7 

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

[2]Patent:US4170597,1979,A

[3]Patent:US4085272,1978,A

405-79-8    2923-60-6 

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97

405-79-8    399-41-7 

[1]ZhurnalObshcheiKhimii,1959,vol.29,p.3708;engl.Ausg.S.3664

[2]JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97

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