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454-15-9,MFCD07787098
Catalog No.:AA00DJOY

454-15-9 | 2-(Bromomethyl)-1-fluoro-4-nitrobenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$30.00   $21.00
- +
1g
98%
in stock  
$40.00   $28.00
- +
5g
98%
in stock  
$183.00   $128.00
- +
10g
98%
in stock  
$321.00   $225.00
- +
25g
98%
in stock  
$599.00   $419.00
- +
100g
98%
in stock  
$1,583.00 $1,108.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DJOY
Chemical Name:
2-(Bromomethyl)-1-fluoro-4-nitrobenzene
CAS Number:
454-15-9
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD07787098
SMILES:
BrCc1cc(ccc1F)[N+](=O)[O-]
Properties
Properties
 
BP:
303.4°C at 760 mmHg  
Form:
Solid  
MP:
74-76°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
173  
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:
2.4  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.1378

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.1378

[1]JournalofMedicinalChemistry,1994,vol.37,p.1362-1370

[2]TetrahedronLetters,2005,vol.46,p.3633-3635

[3]JournalofMedicinalChemistry,2009,vol.52,p.1828-1844

[4]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn69

[5]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn70

[6]Patent:US2010/184740,2010,A1.Locationinpatent:Page/Pagecolumn30-31

[7]Patent:US2010/298293,2010,A1.Locationinpatent:Page/Pagecolumn23

[8]Patent:US2013/116443,2013,A1.Locationinpatent:Paragraph0119;0120;0121;0122

[9]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn124

[10]Patent:WO2013/184119,2013,A1.Locationinpatent:Paragraph0372

[11]JournalofgeneralchemistryoftheUSSR,1967,vol.37,p.764-766    ZhurnalObshcheiKhimii,1967,vol.37,p.814-817

[12]Patent:WO2013/184119,2013,A1.Locationinpatent:Paragraph0216

[13]Patent:US2014/57911,2014,A1.Locationinpatent:Paragraph0356;0357

109-89-7    454-15-9   
4-fluoro-3-<(diethylamino)methyl>nitrobenzene 

[1]JournalofMedicinalChemistry,1994,vol.37,p.1362-1370

[1]JournalofgeneralchemistryoftheUSSR,1967,vol.37,p.764-766    ZhurnalObshcheiKhimii,1967,vol.37,p.814-817

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:454-15-9 Molecular Formula|454-15-9 MDL|454-15-9 SMILES|454-15-9 2-(Bromomethyl)-1-fluoro-4-nitrobenzene
Catalog No.: AA00DJOY
454-15-9,MFCD07787098
454-15-9 | 2-(Bromomethyl)-1-fluoro-4-nitrobenzene
Pack Size： 250mg
Purity： 98%
in stock
$30.00 $21.00
Pack Size： 1g
Purity： 98%
in stock
$40.00 $28.00
Pack Size： 5g
Purity： 98%
in stock
$183.00 $128.00
Pack Size： 10g
Purity： 98%
in stock
$321.00 $225.00
Pack Size： 25g
Purity： 98%
in stock
$599.00 $419.00
Pack Size： 100g
Purity： 98%
in stock
$1,583.00 $1,108.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DJOY
Chemical Name: 2-(Bromomethyl)-1-fluoro-4-nitrobenzene
CAS Number: 454-15-9
Molecular Formula: C7H5BrFNO2
Molecular Weight: 234.0225
MDL Number: MFCD07787098
SMILES: BrCc1cc(ccc1F)[N+](=O)[O-]
Properties
BP: 303.4°C at 760 mmHg  
Form: Solid  
MP: 74-76°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 173  
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: 2.4  
Downstream Synthesis Route
446-48-0    454-15-9 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.1378

109-89-7    454-15-9    329-41-9 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.1378

455-88-9    454-15-9 

[1]JournalofMedicinalChemistry,1994,vol.37,p.1362-1370

[2]TetrahedronLetters,2005,vol.46,p.3633-3635

[3]JournalofMedicinalChemistry,2009,vol.52,p.1828-1844

[4]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn69

[5]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn70

[6]Patent:US2010/184740,2010,A1.Locationinpatent:Page/Pagecolumn30-31

[7]Patent:US2010/298293,2010,A1.Locationinpatent:Page/Pagecolumn23

[8]Patent:US2013/116443,2013,A1.Locationinpatent:Paragraph0119;0120;0121;0122

[9]Patent:US8461179,2013,B1.Locationinpatent:Page/Pagecolumn124

[10]Patent:WO2013/184119,2013,A1.Locationinpatent:Paragraph0372

[11]JournalofgeneralchemistryoftheUSSR,1967,vol.37,p.764-766    ZhurnalObshcheiKhimii,1967,vol.37,p.814-817

[12]Patent:WO2013/184119,2013,A1.Locationinpatent:Paragraph0216

[13]Patent:US2014/57911,2014,A1.Locationinpatent:Paragraph0356;0357

109-89-7    454-15-9   
4-fluoro-3-<(diethylamino)methyl>nitrobenzene 

[1]JournalofMedicinalChemistry,1994,vol.37,p.1362-1370

454-15-9    1068-90-2    16225-13-1 

[1]JournalofgeneralchemistryoftheUSSR,1967,vol.37,p.764-766    ZhurnalObshcheiKhimii,1967,vol.37,p.814-817

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