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17616-04-5,MFCD00586645
Catalog No.:AA003JVF

17616-04-5 | 4-(1H-Imidazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$26.00   $18.00
- +
1g
97%
in stock  
$54.00   $38.00
- +
5g
97%
in stock  
$128.00   $90.00
- +
10g
97%
in stock  
$243.00   $170.00
- +
25g
97%
in stock  
$534.00   $374.00
- +
100g
97%
in stock  
$1,607.00 $1,125.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003JVF
Chemical Name:
4-(1H-Imidazol-1-yl)benzoic acid
CAS Number:
17616-04-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00586645
SMILES:
OC(=O)c1ccc(cc1)n1cncc1
Properties
Properties
 
BP:
403.6 °C at 760 mmHg  
Form:
Solid  
MP:
305 °C (dec.)(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
212  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
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:
1.2  

Downstream Synthesis Route

[1]Patent:US6359134,2002,B1.Locationinpatent:Referentialexample16

86718-07-2   
N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-4-(imidazol-1-yl)-benzamide 
  17616-04-5 

[1]Patent:US5834471,1998,A

[1]Molecules,2016,vol.21

[1]JournalofMaterialsChemistryA,2017,vol.5,p.535-543

Literature

Title: Tetra-aqua-bis-[4-(1H-imidazol-1-yl-κN(3))benzoato]cobalt(II).

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: Aqua-[1-(4-carb-oxy-phen-yl)-1H-imidazole-κN](pyridine-2,6-dicarboxyl-ato-κO,N,O)copper(II) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Bis[μ-4-(1H-imidazol-3-ium-1-yl)benzoato-κO:O']bis-[(methanol)tris-(nitrato-κO,O')terbium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: 4-(Imidazol-1-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Tetra-aqua-bis[4-(imidazol-1-yl-κN)benzoato]manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online 20100501

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SDS
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Tags:17616-04-5 Molecular Formula|17616-04-5 MDL|17616-04-5 SMILES|17616-04-5 4-(1H-Imidazol-1-yl)benzoic acid
Catalog No.: AA003JVF
17616-04-5,MFCD00586645
17616-04-5 | 4-(1H-Imidazol-1-yl)benzoic acid
Pack Size： 250mg
Purity： 98%
in stock
$26.00 $18.00
Pack Size： 1g
Purity： 97%
in stock
$54.00 $38.00
Pack Size： 5g
Purity： 97%
in stock
$128.00 $90.00
Pack Size： 10g
Purity： 97%
in stock
$243.00 $170.00
Pack Size： 25g
Purity： 97%
in stock
$534.00 $374.00
Pack Size： 100g
Purity： 97%
in stock
$1,607.00 $1,125.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003JVF
Chemical Name: 4-(1H-Imidazol-1-yl)benzoic acid
CAS Number: 17616-04-5
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827
MDL Number: MFCD00586645
SMILES: OC(=O)c1ccc(cc1)n1cncc1
Properties
BP: 403.6 °C at 760 mmHg  
Form: Solid  
MP: 305 °C (dec.)(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 212  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
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: 1.2  
Downstream Synthesis Route
86718-07-2    17616-04-5 

[1]Patent:US6359134,2002,B1.Locationinpatent:Referentialexample16

86718-07-2   
N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-4-(imidazol-1-yl)-benzamide 
  17616-04-5 

[1]Patent:US5834471,1998,A

101184-08-1    17616-04-5 

[1]Molecules,2016,vol.21

25372-03-6    17616-04-5 

[1]JournalofMaterialsChemistryA,2017,vol.5,p.535-543

Literature fold

Title: Tetra-aqua-bis-[4-(1H-imidazol-1-yl-κN(3))benzoato]cobalt(II).

Journal: Acta crystallographica. Section E, Structure reports online20120401

Title: Aqua-[1-(4-carb-oxy-phen-yl)-1H-imidazole-κN](pyridine-2,6-dicarboxyl-ato-κO,N,O)copper(II) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20110601

Title: Bis[μ-4-(1H-imidazol-3-ium-1-yl)benzoato-κO:O']bis-[(methanol)tris-(nitrato-κO,O')terbium(III)].

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: 4-(Imidazol-1-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: Tetra-aqua-bis[4-(imidazol-1-yl-κN)benzoato]manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online20100501

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