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88-86-8,MFCD00014691
Catalog No.:AA004A1K

88-86-8 | 2,5-Dichloro-3-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$56.00   $39.00
- +
5g
98%(HPLC)
in stock  
$175.00   $123.00
- +
25g
98%(HPLC)
in stock  
$715.00   $500.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004A1K
Chemical Name:
2,5-Dichloro-3-nitrobenzoic acid
CAS Number:
88-86-8
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD00014691
SMILES:
Clc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Cl
Properties
Properties
 
BP:
366.5 °C at 760 mmHg  
Form:
Solid  
MP:
216-220 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
255  
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:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1992,vol.57,p.97-100

[1]Rewcastle;Denny;Baguley[JournalofMedicinalChemistry,1987,vol.30,#5,p.843-851]

[1]Breslin;Kukla;Ludovici;Mohrbacher;Ho;Miranda;Rodgers;Hitchens;Leo;Gauthier;Ho;Scott;DeClercq;Pauwels;Andries;Janssen;Janssen[JournalofMedicinalChemistry,1995,vol.38,#5,p.771-793]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US5270464,1993,A

[3]Chegondi,Rambabu;Jadhav,SandipB.;Maurya,Sundaram;Navaneetha,N.[ChemicalCommunications,2021,vol.57,#99,p.13598-13601]

88-86-8   
(2,5-dichloro-3-nitrophenyl)methanol 

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/180612,2015,A1Locationinpatent:Page/Pagecolumn81;82

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

Literature
Quotation Request
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SDS
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Tags:88-86-8 Molecular Formula|88-86-8 MDL|88-86-8 SMILES|88-86-8 2,5-Dichloro-3-nitrobenzoic acid
Catalog No.: AA004A1K
88-86-8,MFCD00014691
88-86-8 | 2,5-Dichloro-3-nitrobenzoic acid
Pack Size： 1g
Purity： 98%(HPLC)
in stock
$56.00 $39.00
Pack Size： 5g
Purity： 98%(HPLC)
in stock
$175.00 $123.00
Pack Size： 25g
Purity： 98%(HPLC)
in stock
$715.00 $500.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004A1K
Chemical Name: 2,5-Dichloro-3-nitrobenzoic acid
CAS Number: 88-86-8
Molecular Formula: C7H3Cl2NO4
Molecular Weight: 236.0090
MDL Number: MFCD00014691
SMILES: Clc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Cl
Properties
BP: 366.5 °C at 760 mmHg  
Form: Solid  
MP: 216-220 °C(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 255  
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: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
88-86-8    33208-99-0    137332-62-8 

[1]JournalofOrganicChemistry,1992,vol.57,p.97-100

88-86-8    62-53-3    103942-94-5 

[1]Rewcastle;Denny;Baguley[JournalofMedicinalChemistry,1987,vol.30,#5,p.843-851]

88-86-8    162930-65-6 

[1]Breslin;Kukla;Ludovici;Mohrbacher;Ho;Miranda;Rodgers;Hitchens;Leo;Gauthier;Ho;Scott;DeClercq;Pauwels;Andries;Janssen;Janssen[JournalofMedicinalChemistry,1995,vol.38,#5,p.771-793]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US5270464,1993,A

[3]Chegondi,Rambabu;Jadhav,SandipB.;Maurya,Sundaram;Navaneetha,N.[ChemicalCommunications,2021,vol.57,#99,p.13598-13601]

88-86-8   
(2,5-dichloro-3-nitrophenyl)methanol 

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/180612,2015,A1Locationinpatent:Page/Pagecolumn81;82

88-86-8    206883-04-7 

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

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