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862874-18-8,MFCD12827972
Catalog No.:AA01DWNW

862874-18-8 | 1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene

Pack Size
Purity
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Price(USD)
Quantity
  
100mg
95%
1 week  
$169.00   $118.00
- +
250mg
95%
1 week  
$285.00   $199.00
- +
1g
95%
1 week  
$765.00   $536.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01DWNW
Chemical Name:
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
862874-18-8
Molecular Formula:
C7H2ClF4NO2
Molecular Weight:
243.5429
MDL Number:
MFCD12827972
SMILES:
[O-][N+](=O)c1cc(c(cc1F)Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
XLogP3:
3.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCKKGAA-WO2005/75425,2005,A2Locationinpatent:Page/Pagecolumn192

[1]CurrentPatentAssignee:JIANGSUHENGRUIMEDICINECO.,LTD.-EP3907218,2021,A1Locationinpatent:Paragraph0145-0146;0152;0250-0251

[2]CurrentPatentAssignee:MERCKKGAA-WO2005/82853,2005,A1Locationinpatent:Page/Pagecolumn210-211

[3]CurrentPatentAssignee:MERCKKGAA-WO2005/75425,2005,A2Locationinpatent:Page/Pagecolumn189-190

[4]CurrentPatentAssignee:MERCKKGAA-WO2005/82858,2005,A2Locationinpatent:Page/Pagecolumn121

[1]JournalofOrganicChemistry,2020,vol.85,p.3110-3124

Literature
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SDS
Tags:862874-18-8 Molecular Formula|862874-18-8 MDL|862874-18-8 SMILES|862874-18-8 1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene