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42972-13-4,MFCD06371360
Catalog No.:AA0038N5

42972-13-4 | 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$11.00   $8.00
- +
250mg
95%
in stock  
$25.00   $18.00
- +
1g
95%
in stock  
$70.00   $49.00
- +
5g
95%
in stock  
$243.00   $171.00
- +
10g
95%
in stock  
$469.00   $328.00
- +
25g
95%
in stock  
$926.00   $648.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0038N5
Chemical Name:
1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
CAS Number:
42972-13-4
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD06371360
SMILES:
OC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
NSC Number:
211205
Properties
Computed Properties
 
Complexity:
328  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  

Upstream Synthesis Route

[1]Patent:WO2006/32518,2006,A1,.Locationinpatent:Page/Pagecolumn175

[2]Patent:US2007/219195,2007,A1,.Locationinpatent:Page/Pagecolumn46;64

[3]ChemicalCommunications,2009,#42,p.6367-6369

[1]CrystEngComm,2010,vol.12,#6,p.1850-1855

[2]CrystEngComm,2012,vol.14,#14,p.4719-4727

Downstream Synthesis Route

[1]Patent:WO2006/32518,2006,A1.Locationinpatent:Page/Pagecolumn175

[2]Patent:US2007/219195,2007,A1.Locationinpatent:Page/Pagecolumn46;64

[3]ChemicalCommunications,2009,p.6367-6369

42972-13-4   
1-bromo-4-oxo-3,4-dihydro-phthalazine-6-carboxylicacid 

[1]Patent:WO2006/32518,2006,A1.Locationinpatent:Page/Pagecolumn175;176

[2]Patent:US2007/219195,2007,A1.Locationinpatent:Page/Pagecolumn46;64

[1]CurrentPatentAssignee:ABBVIEINC-WO2008/61108,2008,A2Locationinpatent:Page/Pagecolumn119-120

[1]CrystEngComm,2010,vol.12,p.1850-1855

[2]CrystEngComm,2012,vol.14,p.4719-4727

Literature
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Additional Info:
SDS
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Tags:42972-13-4 Molecular Formula|42972-13-4 MDL|42972-13-4 SMILES|42972-13-4 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid