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101420-79-5,MFCD07783655
Catalog No.:AA0004EA

101420-79-5 | 4-Iodo-3-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$13.00   $9.00
- +
1g
98%
in stock  
$17.00   $12.00
- +
5g
98%
in stock  
$46.00   $32.00
- +
10g
98%
in stock  
$91.00   $64.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0004EA
Chemical Name:
4-Iodo-3-nitrobenzonitrile
CAS Number:
101420-79-5
Molecular Formula:
C7H3IN2O2
Molecular Weight:
274.0154
MDL Number:
MFCD07783655
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])I
Properties
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[2]Milleretal.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.93]

51934-41-9    101420-79-5   
ethyl4'-cyano-2'-nitro1,1'-biphenyl-4-carboxylate 

[1]Sapountzis,Ioannis;Knochel,Paul[AngewandteChemie-InternationalEdition,2002,vol.41,#9,p.1610-1611]

[2]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[3]Sapountzis,Ioannis;Dube,Henry;Knochel,Paul[AdvancedSynthesisandCatalysis,2004,vol.346,#7,p.709-712]

636-98-6    101420-79-5   
2,4'-dinitro1,1'-biphenyl-4-carbonitrile 

[1]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[2]Sapountzis,Ioannis;Dube,Henry;Knochel,Paul[AdvancedSynthesisandCatalysis,2004,vol.346,#7,p.709-712]

Literature
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SDS
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Tags:101420-79-5 Molecular Formula|101420-79-5 MDL|101420-79-5 SMILES|101420-79-5 4-Iodo-3-nitrobenzonitrile
Catalog No.: AA0004EA
101420-79-5,MFCD07783655
101420-79-5 | 4-Iodo-3-nitrobenzonitrile
Pack Size： 100mg
Purity： 95%
in stock
$13.00 $9.00
Pack Size： 1g
Purity： 98%
in stock
$17.00 $12.00
Pack Size： 5g
Purity： 98%
in stock
$46.00 $32.00
Pack Size： 10g
Purity： 98%
in stock
$91.00 $64.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0004EA
Chemical Name: 4-Iodo-3-nitrobenzonitrile
CAS Number: 101420-79-5
Molecular Formula: C7H3IN2O2
Molecular Weight: 274.0154
MDL Number: MFCD07783655
SMILES: N#Cc1ccc(c(c1)[N+](=O)[O-])I
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
3058-39-7    101420-79-5 

[1]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[2]Milleretal.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.93]

51934-41-9    101420-79-5   
ethyl4'-cyano-2'-nitro1,1'-biphenyl-4-carboxylate 

[1]Sapountzis,Ioannis;Knochel,Paul[AngewandteChemie-InternationalEdition,2002,vol.41,#9,p.1610-1611]

[2]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[3]Sapountzis,Ioannis;Dube,Henry;Knochel,Paul[AdvancedSynthesisandCatalysis,2004,vol.346,#7,p.709-712]

636-98-6    101420-79-5   
2,4'-dinitro1,1'-biphenyl-4-carbonitrile 

[1]Sapountzis,Ioannis;Dube,Henry;Lewis,Robert;Gommermann,Nina;Knochel,Paul[JournalofOrganicChemistry,2005,vol.70,#7,p.2445-2454]

[2]Sapountzis,Ioannis;Dube,Henry;Knochel,Paul[AdvancedSynthesisandCatalysis,2004,vol.346,#7,p.709-712]

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