Catalog No.:AA00DD5J

55805-21-5 | 4-(Difluoromethyl)benzoic acid

Name: Name:4-(Difluoromethyl)benzoic acid
Brand: AABLOCKS
SKU: AA00DD5J
Availability: InStock
Rating: 90 (10 reviews)

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Purity

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250mg

95%

in stock

$64.00 $45.00

- +

95%

in stock

$126.00 $89.00

- +

98%

in stock

$515.00 $360.00

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25g

98%

in stock

$2,150.00 $1,505.00

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00DD5J

Chemical Name:

4-(Difluoromethyl)benzoic acid

CAS Number:

55805-21-5

Molecular Formula:

C8H6F2O2

Molecular Weight:

172.1288

MDL Number:

MFCD07784270

SMILES:

FC(c1ccc(cc1)C(=O)O)F

Properties

BP:

271.6°C at 760 mmHg

Form:

Solid

Storage:

Inert atmosphere;2-8℃;

Computed Properties

Complexity:

162

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.5

Downstream Synthesis Route

55805-10-2

55805-21-5

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

[2]CurrentPatentAssignee:MEDIVIRAB;PEPTIMMUNE,INC.-WO2006/64286,2006,A1Locationinpatent:Page/Pagecolumn96-97

[3]CurrentPatentAssignee:MEDIVIRAB-WO2007/144379,2007,A1Locationinpatent:Page/Pagecolumn42

[4]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);ZHEJIANGUNIVERSITY;CHINESEACADEMYOFSCIENCES-CN105085433,2019,BLocationinpatent:Paragraph0328;0333-0336

105-07-7

55805-21-5

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

[2]CurrentPatentAssignee:MEDIVIRAB-WO2007/144379,2007,A1

[3]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);ZHEJIANGUNIVERSITY;CHINESEACADEMYOFSCIENCES-CN105085433,2019,B

1309-60-0

99-94-5

55805-21-5

[1]CurrentPatentAssignee:DUPONTDENEMOURSINC-US4051168,1977,A

67-56-1

55805-21-5

444915-76-8

[1]CurrentPatentAssignee:ABBVIEINC-US2009/124666,2009,A1Locationinpatent:Page/Pagecolumn28

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2020/43866,2020,A1Locationinpatent:Page/Pagecolumn33

[3]Mahy,William;Willis,NickyJ.;Zhao,Yuguang;Woodward,HannahL.;Svensson,Fredrik;Sipthorp,James;Vecchia,Luca;Ruza,ReinisR.;Hillier,James;Kjær,Svend;Frew,Sarah;Monaghan,Amy;Bictash,Magda;Salinas,PatriciaC.;Whiting,Paul;Vincent,Jean-Paul;Jones,E.Yvonne;Fish,PaulV.[JournalofMedicinalChemistry,2020,vol.63,#21,p.12942-12956]

444915-76-8

55805-21-5

[1]CurrentPatentAssignee:PFIZERINC;ROCHEHOLDINGAG-WO2013/148851,2013,A1Locationinpatent:Paragraph00227

[2]CurrentPatentAssignee:ELILILLY&CO;ROCHEHOLDINGAG-US2012/302608,2012,A1Locationinpatent:Page/Pagecolumn11

[3]Zhang,Hua;Yeung,Kimy;Robbins,JessicaS.;Pavlick,RyanA.;Wu,Meng;Liu,Ran;Sen,Ayusman;Phillips,ScottT.[AngewandteChemie-InternationalEdition,2012,vol.51,#10,p.2400-2404]

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED;ENERSYS-EP2848618,2015,A1Locationinpatent:Paragraph0837

Literature

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