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4385-78-8,MFCD05864808
Catalog No.:AA00DDYM

4385-78-8 | 3-(Pyridin-4-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$26.00   $18.00
- +
1g
95%
in stock  
$54.00   $38.00
- +
5g
95%
in stock  
$170.00   $119.00
- +
10g
95%
in stock  
$250.00   $175.00
- +
25g
95%
in stock  
$457.00   $320.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DDYM
Chemical Name:
3-(Pyridin-4-yl)benzoic acid
CAS Number:
4385-78-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD05864808
SMILES:
OC(=O)c1cccc(c1)c1ccncc1
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
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:
2.6  

Upstream Synthesis Route

[1]Patent:US2009/197863,2009,A1,.Locationinpatent:Page/Pagecolumn76

[1]InorganicChemistry,2016,vol.55,#3,p.1089-1095

Downstream Synthesis Route
trans-2-(2-(1-(4-amino)cyclohexyl)ethyl)-6-cyano-1,2,3,4-tetrahydroisoquinoline 
  4385-78-8   
trans-6-cyano-2-2-(1-(4-(3-(4-pyridyl)benzamido))cyclohexyl)ethyl-1,2,3,4-tetrahydroisoquinoline 

[1]Patent:US2003/191314,2003,A1.Locationinpatent:Page/Pagecolumn8

1307-96-6    7732-18-5    4385-78-8   
Co2(OH)(3-pyrid-4-ylbenzoato)3(n) 

[1]InorganicChemistry,2007,vol.46,p.9021-9023

[1]Patent:US2009/197863,2009,A1.Locationinpatent:Page/Pagecolumn76

[1]Patent:US2009/197863,2009,A1.Locationinpatent:Page/Pagecolumn76-77

Literature

Title: catena-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ2O,O']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ2O:O']] monohydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications 20121101

Title: Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: 4-(3-Carb-oxy-phen-yl)pyridinium nitrate.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]cobalt(II).

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Tetra-aqua-bis[3-(4-pyrid-yl)benzoato-κN]nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: 3-(4-Pyrid-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: A novel helical double-layered cobalt(II)-organic framework with tetranuclear [Co4(mu3-OH)2] clusters linked by an unsymmetrical pyridylbenzoate ligand.

Journal: Inorganic chemistry 20071029

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SDS
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Tags:4385-78-8 Molecular Formula|4385-78-8 MDL|4385-78-8 SMILES|4385-78-8 3-(Pyridin-4-yl)benzoic acid
Catalog No.: AA00DDYM
4385-78-8,MFCD05864808
4385-78-8 | 3-(Pyridin-4-yl)benzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$26.00 $18.00
Pack Size： 1g
Purity： 95%
in stock
$54.00 $38.00
Pack Size： 5g
Purity： 95%
in stock
$170.00 $119.00
Pack Size： 10g
Purity： 95%
in stock
$250.00 $175.00
Pack Size： 25g
Purity： 95%
in stock
$457.00 $320.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00DDYM
Chemical Name: 3-(Pyridin-4-yl)benzoic acid
CAS Number: 4385-78-8
Molecular Formula: C12H9NO2
Molecular Weight: 199.2054
MDL Number: MFCD05864808
SMILES: OC(=O)c1cccc(c1)c1ccncc1
Properties
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
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: 2.6  
Upstream Synthesis Route
1120-87-2    25487-66-5    4385-78-8 

[1]Patent:US2009/197863,2009,A1,.Locationinpatent:Page/Pagecolumn76

25487-66-5    19524-06-2    4385-78-8 

[1]InorganicChemistry,2016,vol.55,#3,p.1089-1095

Downstream Synthesis Route
trans-2-(2-(1-(4-amino)cyclohexyl)ethyl)-6-cyano-1,2,3,4-tetrahydroisoquinoline 
  4385-78-8   
trans-6-cyano-2-2-(1-(4-(3-(4-pyridyl)benzamido))cyclohexyl)ethyl-1,2,3,4-tetrahydroisoquinoline 

[1]Patent:US2003/191314,2003,A1.Locationinpatent:Page/Pagecolumn8

1307-96-6    7732-18-5    4385-78-8   
Co2(OH)(3-pyrid-4-ylbenzoato)3(n) 

[1]InorganicChemistry,2007,vol.46,p.9021-9023

1120-87-2    25487-66-5    4385-78-8 

[1]Patent:US2009/197863,2009,A1.Locationinpatent:Page/Pagecolumn76

4385-78-8    291296-44-1 

[1]Patent:US2009/197863,2009,A1.Locationinpatent:Page/Pagecolumn76-77

Literature fold

Title: catena-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ2O,O']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ2O:O']] monohydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications20121101

Title: Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online20120501

Title: 4-(3-Carb-oxy-phen-yl)pyridinium nitrate.

Journal: Acta crystallographica. Section E, Structure reports online20120501

Title: Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]cobalt(II).

Journal: Acta crystallographica. Section E, Structure reports online20111201

Title: Tetra-aqua-bis[3-(4-pyrid-yl)benzoato-κN]nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online20091201

Title: 3-(4-Pyrid-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online20090601

Title: A novel helical double-layered cobalt(II)-organic framework with tetranuclear [Co4(mu3-OH)2] clusters linked by an unsymmetrical pyridylbenzoate ligand.

Journal: Inorganic chemistry20071029

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