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Home Carboxes 35112-05-1
35112-05-1,MFCD04115725
Catalog No.:AA0033WD

35112-05-1 | 4-Chloro-2-fluoro-5-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
97%
in stock  
$13.00   $9.00
- +
10g
97%
in stock  
$19.00   $14.00
- +
25g
97%
in stock  
$31.00   $22.00
- +
  • 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:
AA0033WD
Chemical Name:
4-Chloro-2-fluoro-5-nitrobenzoic acid
CAS Number:
35112-05-1
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
MDL Number:
MFCD04115725
SMILES:
OC(=O)c1cc(N(=O)=O)c(cc1F)Cl
Properties
Properties
 
BP:
361.4 °C at 760 mmHg  
Form:
Solid  
MP:
146-150°C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]Patent:WO2008/124610,2008,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2018,vol.61,p.4052-4066

[2]Patent:WO2008/124610,2008,A1.Locationinpatent:Page/Pagecolumn88

[1]Patent:WO2017/108723,2017,A2.Locationinpatent:Page/Pagecolumn407

[2]ACSMedicinalChemistryLetters,2020,vol.11,p.327-333

[3]Patent:WO2008/124610,2008,A1.Locationinpatent:Page/Pagecolumn92;93

35112-05-1   
C32H51N6O8PolS 
 
C39H52ClFN7O11PolS 

[1]TetrahedronLetters,2011,vol.52,p.5782-5788

35112-05-1   
C33H52N5O10PolS 
 
C40H53ClFN6O13PolS 

[1]TetrahedronLetters,2011,vol.52,p.5782-5788

35112-05-1   
C33H52N5O10PolS 
 
C40H53ClFN6O13PolS 

[1]TetrahedronLetters,2011,vol.52,p.5782-5788

Literature
Quotation Request
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Additional Info:
SDS
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Tags:35112-05-1 Molecular Formula|35112-05-1 MDL|35112-05-1 SMILES|35112-05-1 4-Chloro-2-fluoro-5-nitrobenzoic acid