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218632-01-0,MFCD04973417
Catalog No.:AA00I45Z

218632-01-0 | 3-Fluoro-4-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$21.00   $15.00
- +
10g
98%
in stock  
$34.00   $24.00
- +
25g
98%
in stock  
$71.00   $50.00
- +
100g
98%
in stock  
$239.00   $167.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I45Z
Chemical Name:
3-Fluoro-4-nitrobenzonitrile
CAS Number:
218632-01-0
Molecular Formula:
C7H3FN2O2
Molecular Weight:
166.1093
MDL Number:
MFCD04973417
SMILES:
N#Cc1ccc(c(c1)F)[N+](=O)[O-]
Properties
Properties
 
BP:
316.4°C at 760 mmHg  
Form:
Solid  
MP:
72-73°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Upstream Synthesis Route

[1]Patent:WO2016/55947,2016,A1,.Locationinpatent:Page/Pagecolumn56;57

[1]RSCAdvances,2013,vol.3,#44,p.22389-22396

[1]Patent:WO2016/55947,2016,A1,

Downstream Synthesis Route
218632-01-0    952723-40-9   
ethyl2-(5-cyano-2-nitro-phenyl)-2-hydroxy-2-5-(morpholin-4-ylmethyl)pyridin-2-ylacetate 

[1]Patent:WO2007/120102,2007,A1.Locationinpatent:Page/Pagecolumn22-23

218632-01-0   
1-trans-4-(ethoxy)cyclohexyl-4-piperidinaminedihydrochloride 
  950772-82-4 

[1]Patent:WO2007/107565,2007,A1.Locationinpatent:Page/Pagecolumn110-111

218632-01-0   
1-trans-4-(ethyloxy)-1-methylcyclohexyl-4-piperidinaminedihydrochloride 
  950772-84-6 

[1]Patent:WO2007/107565,2007,A1.Locationinpatent:Page/Pagecolumn112

[1]Patent:US2006/148823,2006,A1.Locationinpatent:Page/Pagecolumn23-24

[1]Patent:WO2006/21544,2006,A1.Locationinpatent:Page/Pagecolumn64

Literature
Quotation Request
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SDS
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Tags:218632-01-0 Molecular Formula|218632-01-0 MDL|218632-01-0 SMILES|218632-01-0 3-Fluoro-4-nitrobenzonitrile
Catalog No.: AA00I45Z
218632-01-0,MFCD04973417
218632-01-0 | 3-Fluoro-4-nitrobenzonitrile
Pack Size： 1g
Purity： 98%
in stock
$11.00 $8.00
Pack Size： 5g
Purity： 98%
in stock
$21.00 $15.00
Pack Size： 10g
Purity： 98%
in stock
$34.00 $24.00
Pack Size： 25g
Purity： 98%
in stock
$71.00 $50.00
Pack Size： 100g
Purity： 98%
in stock
$239.00 $167.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I45Z
Chemical Name: 3-Fluoro-4-nitrobenzonitrile
CAS Number: 218632-01-0
Molecular Formula: C7H3FN2O2
Molecular Weight: 166.1093
MDL Number: MFCD04973417
SMILES: N#Cc1ccc(c(c1)F)[N+](=O)[O-]
Properties
BP: 316.4°C at 760 mmHg  
Form: Solid  
MP: 72-73°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 229  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Upstream Synthesis Route
218632-01-0    63069-50-1 

[1]Patent:WO2016/55947,2016,A1,.Locationinpatent:Page/Pagecolumn56;57

218632-01-0    107-21-1    129421-32-5 

[1]RSCAdvances,2013,vol.3,#44,p.22389-22396

218632-01-0    887266-99-1 

[1]Patent:WO2016/55947,2016,A1,

Downstream Synthesis Route
218632-01-0    952723-40-9   
ethyl2-(5-cyano-2-nitro-phenyl)-2-hydroxy-2-5-(morpholin-4-ylmethyl)pyridin-2-ylacetate 

[1]Patent:WO2007/120102,2007,A1.Locationinpatent:Page/Pagecolumn22-23

218632-01-0   
1-trans-4-(ethoxy)cyclohexyl-4-piperidinaminedihydrochloride 
  950772-82-4 

[1]Patent:WO2007/107565,2007,A1.Locationinpatent:Page/Pagecolumn110-111

218632-01-0   
1-trans-4-(ethyloxy)-1-methylcyclohexyl-4-piperidinaminedihydrochloride 
  950772-84-6 

[1]Patent:WO2007/107565,2007,A1.Locationinpatent:Page/Pagecolumn112

218632-01-0    95-56-7    897050-94-1 

[1]Patent:US2006/148823,2006,A1.Locationinpatent:Page/Pagecolumn23-24

218632-01-0    124-41-4    177476-75-4 

[1]Patent:WO2006/21544,2006,A1.Locationinpatent:Page/Pagecolumn64

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