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614-21-1,MFCD00010218
Catalog No.:AA003O0D

614-21-1 | Benzoylnitromethane

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$29.00   $20.00
- +
5g
95%
in stock  
$54.00   $38.00
- +
25g
95%
in stock  
$147.00   $103.00
- +
100g
95%
in stock  
$446.00   $312.00
- +
500g
95%
in stock  
$2,182.00 $1,527.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003O0D
Chemical Name:
Benzoylnitromethane
CAS Number:
614-21-1
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00010218
SMILES:
O=C(c1ccccc1)C[N+](=O)[O-]
NSC Number:
4509
Properties
Properties
 
BP:
292.97°C (rough estimate)  
Form:
Liquid  
MP:
105-107 °C(lit.)  
Refractive Index:
1.5468 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
179  
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:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: Characterisation of Plasmodium falciparum aspartic protease inhibition by piperidine derivatives.

Journal: Natural product research 20111201

Title: (E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites.

Journal: Biodegradation 20100901

Title: (E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: 2-Aminoacetophenone as a potential breath biomarker for Pseudomonas aeruginosa in the cystic fibrosis lung.

Journal: BMC pulmonary medicine 20100101

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SDS
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614-21-1

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Tags:614-21-1 Molecular Formula|614-21-1 MDL|614-21-1 SMILES|614-21-1 Benzoylnitromethane
Catalog No.: AA003O0D
614-21-1,MFCD00010218
614-21-1 | Benzoylnitromethane
Pack Size： 1g
Purity： 95%
in stock
$29.00 $20.00
Pack Size： 5g
Purity： 95%
in stock
$54.00 $38.00
Pack Size： 25g
Purity： 95%
in stock
$147.00 $103.00
Pack Size： 100g
Purity： 95%
in stock
$446.00 $312.00
Pack Size： 500g
Purity： 95%
in stock
$2,182.00 $1,527.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003O0D
Chemical Name: Benzoylnitromethane
CAS Number: 614-21-1
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461
MDL Number: MFCD00010218
SMILES: O=C(c1ccccc1)C[N+](=O)[O-]
NSC Number: 4509
Properties
BP: 292.97°C (rough estimate)  
Form: Liquid  
MP: 105-107 °C(lit.)  
Refractive Index: 1.5468 (estimate)  
Storage: Keep in dry area;2-8℃;  
Complexity: 179  
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: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: Characterisation of Plasmodium falciparum aspartic protease inhibition by piperidine derivatives.

Journal: Natural product research20111201

Title: (E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine.

Journal: Acta crystallographica. Section E, Structure reports online20111101

Title: Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites.

Journal: Biodegradation20100901

Title: (E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online20100601

Title: 2-Aminoacetophenone as a potential breath biomarker for Pseudomonas aeruginosa in the cystic fibrosis lung.

Journal: BMC pulmonary medicine20100101

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