216959-87-4,MFCD20483616
Catalog No.:AA01A31O

216959-87-4 | 4-(1,2,3-Triazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$28.00   $19.00
- +
1g
97%
in stock  
$54.00   $38.00
- +
5g
97%
in stock  
$162.00   $114.00
- +
25g
97%
in stock  
$675.00 $473.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01A31O
Chemical Name:
4-(1,2,3-Triazol-1-yl)benzoic acid
CAS Number:
216959-87-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD20483616
SMILES:
OC(=O)c1ccc(cc1)n1ccnn1
Properties
Computed Properties
 
Complexity:
214  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Downstream Synthesis Route
216959-87-4    203521-17-9   
1-(6-chloronaphthalene-2-sulfonyl)-4-4-(1,2,3-triazol-1-yl)benzoylpiperazine 

[1]Patent:US6359134,2002,B1.Locationinpatent:Example128

669004-27-7    216959-87-4   
4-(2,2-dimethyl-propylamino)-5-3-oxo-3-(4-1,2,3triazol-1-yl-phenyl)-prop-1-ynyl-pyrimidine-2-carbonitrile 

[1]Patent:WO2004/20441,2004,A1.Locationinpatent:Page54

[1]Patent:US2016/237043,2016,A1.Locationinpatent:Paragraph0540;0542

[2]Patent:WO2012/33736,2012,A1.Locationinpatent:Page/Pagecolumn53-54

216959-87-4   
(2S)-5-(1R,2S)-2-(4-fluorophenyl)cyclopropyl(propen-3-yl)amino-2-4-(1H-1,2,3-triazol-1-yl)phenylformamidopentanoicacid 

[1]Patent:US2016/237043,2016,A1

[2]Patent:WO2017/79753,2017,A1

[1]Patent:US2016/237043,2016,A1.Locationinpatent:Paragraph0516;0517

[2]Patent:WO2017/79753,2017,A1.Locationinpatent:Paragraph0185

[3]Patent:WO2021/118996,2021,A1.Locationinpatent:Paragraph0121;0122

Literature
Quotation Request
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Additional Info:
SDS
Tags:216959-87-4 Molecular Formula|216959-87-4 MDL|216959-87-4 SMILES|216959-87-4 4-(1,2,3-Triazol-1-yl)benzoic acid
Catalog No.: AA01A31O
216959-87-4,MFCD20483616
216959-87-4 | 4-(1,2,3-Triazol-1-yl)benzoic acid
Pack Size: 250mg
Purity: 98%
in stock
$28.00 $19.00
Pack Size: 1g
Purity: 97%
in stock
$54.00 $38.00
Pack Size: 5g
Purity: 97%
in stock
$162.00 $114.00
Pack Size: 25g
Purity: 97%
in stock
$675.00 $473.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01A31O
Chemical Name: 4-(1,2,3-Triazol-1-yl)benzoic acid
CAS Number: 216959-87-4
Molecular Formula: C9H7N3O2
Molecular Weight: 189.1708
MDL Number: MFCD20483616
SMILES: OC(=O)c1ccc(cc1)n1ccnn1
Properties
Complexity: 214  
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: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Downstream Synthesis Route
216959-87-4    203521-17-9   
1-(6-chloronaphthalene-2-sulfonyl)-4-4-(1,2,3-triazol-1-yl)benzoylpiperazine 

[1]Patent:US6359134,2002,B1.Locationinpatent:Example128

669004-27-7    216959-87-4   
4-(2,2-dimethyl-propylamino)-5-3-oxo-3-(4-1,2,3triazol-1-yl-phenyl)-prop-1-ynyl-pyrimidine-2-carbonitrile 

[1]Patent:WO2004/20441,2004,A1.Locationinpatent:Page54

85862-71-1    216959-87-4 

[1]Patent:US2016/237043,2016,A1.Locationinpatent:Paragraph0540;0542

[2]Patent:WO2012/33736,2012,A1.Locationinpatent:Page/Pagecolumn53-54

216959-87-4   
(2S)-5-(1R,2S)-2-(4-fluorophenyl)cyclopropyl(propen-3-yl)amino-2-4-(1H-1,2,3-triazol-1-yl)phenylformamidopentanoicacid 

[1]Patent:US2016/237043,2016,A1

[2]Patent:WO2017/79753,2017,A1

216959-87-4    1364524-44-6 

[1]Patent:US2016/237043,2016,A1.Locationinpatent:Paragraph0516;0517

[2]Patent:WO2017/79753,2017,A1.Locationinpatent:Paragraph0185

[3]Patent:WO2021/118996,2021,A1.Locationinpatent:Paragraph0121;0122

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