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Home Fluorides 90446-25-6
90446-25-6,MFCD00085006
Catalog No.:AA006DQR

90446-25-6 | 4-(Difluoromethoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$39.00   $28.00
- +
5g
98%
in stock  
$47.00   $33.00
- +
25g
98%
in stock  
$187.00   $131.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006DQR
Chemical Name:
4-(Difluoromethoxy)benzonitrile
CAS Number:
90446-25-6
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD00085006
SMILES:
FC(Oc1ccc(cc1)C#N)F
Properties
Properties
 
BP:
244.6 °C at 760 mmHg  
Form:
Solid  
MP:
40-42°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route
90446-25-6   
4-(chlorodifluoromethoxy)benzonitrile 

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1992,vol.28,p.1317-1324    ZhurnalOrganicheskoiKhimii,1992,vol.28,p.1652-1660

[1]Patent:US5731477,1998,A

[1]Patent:US5731477,1998,A

[1]Patent:US4434182,1984,A

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:90446-25-6 Molecular Formula|90446-25-6 MDL|90446-25-6 SMILES|90446-25-6 4-(Difluoromethoxy)benzonitrile |Fluorinated_Building_Blocks