555-21-5,MFCD00007372
Catalog No.:AA00I9TW

555-21-5 | 2-(4-Nitrophenyl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%(HPLC)
in stock  
$24.00   $17.00
- +
25g
98%(HPLC)
in stock  
$35.00   $25.00
- +
100g
98%(HPLC)
in stock  
$89.00   $63.00
- +
500g
98%(HPLC)
in stock  
$239.00   $167.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I9TW
Chemical Name:
2-(4-Nitrophenyl)acetonitrile
CAS Number:
555-21-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00007372
SMILES:
N#CCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
5396
Properties
Properties
 
BP:
195-197 °C (12.0016 mmHg)  
Form:
Solid  
MP:
113-115 °C(lit.)  
Refractive Index:
1.5770 (estimate)  
Solubility:
Solubility Insoluble in water, soluble in ethanol, ether  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
205  
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:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Literature

Title: 3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding.

Journal: Chemistry Central journal 20110101

Title: Synthesis and photo-physical properties of fluorescent 1,3,5-triazine styryl derivatives.

Journal: Chemistry Central journal 20110101

Title: 5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: 4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: 6,8-Di-tert-butyl-3-(4-nitro-phen-yl)-2H-chromen-2-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: (n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020801

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Related Products of 555-21-5
Tags:555-21-5 Molecular Formula|555-21-5 MDL|555-21-5 SMILES|555-21-5 2-(4-Nitrophenyl)acetonitrile
Catalog No.: AA00I9TW
555-21-5,MFCD00007372
555-21-5 | 2-(4-Nitrophenyl)acetonitrile
Pack Size: 5g
Purity: 98%(HPLC)
in stock
$24.00 $17.00
Pack Size: 25g
Purity: 98%(HPLC)
in stock
$35.00 $25.00
Pack Size: 100g
Purity: 98%(HPLC)
in stock
$89.00 $63.00
Pack Size: 500g
Purity: 98%(HPLC)
in stock
$239.00 $167.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I9TW
Chemical Name: 2-(4-Nitrophenyl)acetonitrile
CAS Number: 555-21-5
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454
MDL Number: MFCD00007372
SMILES: N#CCc1ccc(cc1)[N+](=O)[O-]
NSC Number: 5396
Properties
BP: 195-197 °C (12.0016 mmHg)  
Form: Solid  
MP: 113-115 °C(lit.)  
Refractive Index: 1.5770 (estimate)  
Solubility: Solubility Insoluble in water, soluble in ethanol, ether  
Storage: 2-8℃;  
Complexity: 205  
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: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Literature fold

Title: 3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110901

Title: Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding.

Journal: Chemistry Central journal20110101

Title: Synthesis and photo-physical properties of fluorescent 1,3,5-triazine styryl derivatives.

Journal: Chemistry Central journal20110101

Title: 5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole.

Journal: Acta crystallographica. Section E, Structure reports online20101101

Title: 4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20100701

Title: trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online20100701

Title: 6,8-Di-tert-butyl-3-(4-nitro-phen-yl)-2H-chromen-2-one.

Journal: Acta crystallographica. Section E, Structure reports online20100201

Title: (n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.

Journal: Acta crystallographica. Section C, Crystal structure communications20020801

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