98555-49-8,MFCD02629362
Catalog No.:AA0067V6

98555-49-8 | 3-Bromo-4-hydroxy-5-nitrobenzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$107.00   $75.00
- +
1g
96%
in stock  
$250.00 $175.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0067V6
Chemical Name:
3-Bromo-4-hydroxy-5-nitrobenzaldehyde
CAS Number:
98555-49-8
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD02629362
SMILES:
O=Cc1cc(Br)c(c(c1)[N+](=O)[O-])O
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route
1118-61-2    98555-49-8    57641-89-1   
3-bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-nitro-benzyloxy)-benzoicacidmethylester 
 
3-bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-nitro-benzyloxy)-benzoicacidmethylester 

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn46-47

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn40;51-52

6971-51-3    98555-49-8   
3-bromo-4-(3-methoxy-benzyloxy)-5-nitro-benzaldehyde 

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn23

[2]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn35

[1]CurrentPatentAssignee:YANGTZERIVERPHARMACEUTICALGROUPCOLTD-CN113248492,2021,ALocationinpatent:Paragraph0352;0382-0384

[2]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn23;24

[3]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn28-29

[4]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn35;39;51

Literature
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SDS
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Tags:98555-49-8 Molecular Formula|98555-49-8 MDL|98555-49-8 SMILES|98555-49-8 3-Bromo-4-hydroxy-5-nitrobenzaldehyde
Catalog No.: AA0067V6
98555-49-8,MFCD02629362
98555-49-8 | 3-Bromo-4-hydroxy-5-nitrobenzaldehyde
Pack Size: 250mg
Purity: 96%
in stock
$107.00 $75.00
Pack Size: 1g
Purity: 96%
in stock
$250.00 $175.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0067V6
Chemical Name: 3-Bromo-4-hydroxy-5-nitrobenzaldehyde
CAS Number: 98555-49-8
Molecular Formula: C7H4BrNO4
Molecular Weight: 246.0150
MDL Number: MFCD02629362
SMILES: O=Cc1cc(Br)c(c(c1)[N+](=O)[O-])O
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
1118-61-2    98555-49-8    57641-89-1   
3-bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-nitro-benzyloxy)-benzoicacidmethylester 
 
3-bromo-5-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-2-(3-nitro-benzyloxy)-benzoicacidmethylester 

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn46-47

1118-61-2    98555-49-8    57641-89-1    914079-19-9 

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn40;51-52

6971-51-3    98555-49-8   
3-bromo-4-(3-methoxy-benzyloxy)-5-nitro-benzaldehyde 

[1]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn23

[2]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn35

2973-78-6    98555-49-8 

[1]CurrentPatentAssignee:YANGTZERIVERPHARMACEUTICALGROUPCOLTD-CN113248492,2021,ALocationinpatent:Paragraph0352;0382-0384

[2]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn23;24

[3]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-US2008/300270,2008,A1Locationinpatent:Page/Pagecolumn28-29

[4]CurrentPatentAssignee:ORGANON&CO;MERCK&COINC-WO2006/117370,2006,A1Locationinpatent:Page/Pagecolumn35;39;51

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