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451-69-4,MFCD00004370
Catalog No.:AA003H8Z

451-69-4 | 2-Fluorocinnamic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98.5% (predominantly trans)
in stock  
$11.00   $8.00
- +
25g
98%(HPLC)
in stock  
$39.00   $27.00
- +
100g
98.5% (predominantly trans)
in stock  
$136.00   $95.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003H8Z
Chemical Name:
2-Fluorocinnamic acid
CAS Number:
451-69-4
Molecular Formula:
C9H7FO2
Molecular Weight:
166.1491
MDL Number:
MFCD00004370
SMILES:
OC(=O)C=Cc1ccccc1F
NSC Number:
73989
Properties
Properties
 
BP:
281.6°C at 760 mmHg  
Form:
Solid  
MP:
179-183 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Upstream Synthesis Route

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,#1,p.161-163

[2]Molecules,2009,vol.14,#10,p.4166-4179

[3]BioorganicandMedicinalChemistry,2011,vol.19,#15,p.4513-4519

[4]BioorganicandMedicinalChemistry,2015,vol.23,#19,p.6389-6403

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[1]ChemischeBerichte,1885,vol.18,p.961

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[2]Patent:US2008/255230,2008,A1,.Locationinpatent:Page/Pagecolumn14

Downstream Synthesis Route

[1]ChemischeBerichte,1885,vol.18,p.961

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[2]Patent:US2008/255230,2008,A1.Locationinpatent:Page/Pagecolumn14

[3]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16362-16373

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

451-69-4   
3-(2-fluoro-phenyl)-acrylicacid6-methyl-2-oxo-2<i>H</i>-pyran-4-ylester 

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,p.161-163

451-69-4   
3-(2-fluoro-phenyl)-acrylicacid2-oxo-6-phenethyl-2<i>H</i>-pyran-4-ylester 

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,p.161-163

Literature
Quotation Request
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SDS
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Tags:451-69-4 Molecular Formula|451-69-4 MDL|451-69-4 SMILES|451-69-4 2-Fluorocinnamic acid
Catalog No.: AA003H8Z
451-69-4,MFCD00004370
451-69-4 | 2-Fluorocinnamic acid
Pack Size： 5g
Purity： 98.5% (predominantly trans)
in stock
$11.00 $8.00
Pack Size： 25g
Purity： 98%(HPLC)
in stock
$39.00 $27.00
Pack Size： 100g
Purity： 98.5% (predominantly trans)
in stock
$136.00 $95.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003H8Z
Chemical Name: 2-Fluorocinnamic acid
CAS Number: 451-69-4
Molecular Formula: C9H7FO2
Molecular Weight: 166.1491
MDL Number: MFCD00004370
SMILES: OC(=O)C=Cc1ccccc1F
NSC Number: 73989
Properties
BP: 281.6°C at 760 mmHg  
Form: Solid  
MP: 179-183 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 189  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Upstream Synthesis Route
451-69-4    699-99-0 

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

141-82-2    446-52-6    451-69-4 

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,#1,p.161-163

[2]Molecules,2009,vol.14,#10,p.4166-4179

[3]BioorganicandMedicinalChemistry,2011,vol.19,#15,p.4513-4519

[4]BioorganicandMedicinalChemistry,2015,vol.23,#19,p.6389-6403

108-24-7    446-52-6    451-69-4 

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

1664-63-7    451-69-4 

[1]ChemischeBerichte,1885,vol.18,p.961

451-69-4    1643-26-1 

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[2]Patent:US2008/255230,2008,A1,.Locationinpatent:Page/Pagecolumn14

Downstream Synthesis Route
1664-63-7    451-69-4 

[1]ChemischeBerichte,1885,vol.18,p.961

451-69-4    1643-26-1 

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

[2]Patent:US2008/255230,2008,A1.Locationinpatent:Page/Pagecolumn14

[3]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16362-16373

108-24-7    446-52-6    451-69-4 

[1]BulletindelaSocieteChimiquedeFrance,1973,p.3092-3095

451-69-4   
3-(2-fluoro-phenyl)-acrylicacid6-methyl-2-oxo-2<i>H</i>-pyran-4-ylester 

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,p.161-163

451-69-4   
3-(2-fluoro-phenyl)-acrylicacid2-oxo-6-phenethyl-2<i>H</i>-pyran-4-ylester 

[1]Bioscience,BiotechnologyandBiochemistry,2001,vol.65,p.161-163

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