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19968-17-3,MFCD04969230
Catalog No.:AA002C7S

19968-17-3 | 4-Bromo-3-(trifluoromethyl)-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$16.00   $12.00
- +
5g
95%
in stock  
$52.00   $36.00
- +
10g
95%
in stock  
$94.00   $66.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002C7S
Chemical Name:
4-Bromo-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
19968-17-3
Molecular Formula:
C4H2BrF3N2
Molecular Weight:
214.9713
MDL Number:
MFCD04969230
SMILES:
FC(c1n[nH]cc1Br)(F)F
Properties
Properties
 
BP:
235.3°C at 760 mmHg  
Form:
Solid  
MP:
105-107℃  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
126  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Patent:WO2005/95351,2005,A1,.Locationinpatent:Page/Pagecolumn76

[2]Patent:EP1710234,2006,A1,.Locationinpatent:Page/Pagecolumn51-52

Downstream Synthesis Route

[1]Patent:EP1382603,2004,A1.Locationinpatent:Page47;48

[1]Patent:WO2005/95351,2005,A1.Locationinpatent:Page/Pagecolumn76

[1]Patent:WO2005/95351,2005,A1.Locationinpatent:Page/Pagecolumn76

[2]Patent:EP1710234,2006,A1.Locationinpatent:Page/Pagecolumn51-52

[1]Patent:EP1710234,2006,A1.Locationinpatent:Page/Pagecolumn52

Literature
Quotation Request
Company Name:
*
Contact Person:
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Email:
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Quantity Required:
*
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Additional Info:
Submit
SDS
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Tags:19968-17-3 Molecular Formula|19968-17-3 MDL|19968-17-3 SMILES|19968-17-3 4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Catalog No.: AA002C7S
19968-17-3,MFCD04969230
19968-17-3 | 4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Pack Size： 250mg
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 97%
in stock
$16.00 $12.00
Pack Size： 5g
Purity： 95%
in stock
$52.00 $36.00
Pack Size： 10g
Purity： 95%
in stock
$94.00 $66.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA002C7S
Chemical Name: 4-Bromo-3-(trifluoromethyl)-1H-pyrazole
CAS Number: 19968-17-3
Molecular Formula: C4H2BrF3N2
Molecular Weight: 214.9713
MDL Number: MFCD04969230
SMILES: FC(c1n[nH]cc1Br)(F)F
Properties
BP: 235.3°C at 760 mmHg  
Form: Solid  
MP: 105-107℃  
Storage: Inert atmosphere;2-8℃;  
Complexity: 126  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Upstream Synthesis Route
20154-03-4    19968-17-3 

[1]Patent:WO2005/95351,2005,A1,.Locationinpatent:Page/Pagecolumn76

[2]Patent:EP1710234,2006,A1,.Locationinpatent:Page/Pagecolumn51-52

Downstream Synthesis Route
19968-17-3    474706-50-8 

[1]Patent:EP1382603,2004,A1.Locationinpatent:Page47;48

19968-17-3    18515-14-5    866638-79-1 

[1]Patent:WO2005/95351,2005,A1.Locationinpatent:Page/Pagecolumn76

20154-03-4    19968-17-3 

[1]Patent:WO2005/95351,2005,A1.Locationinpatent:Page/Pagecolumn76

[2]Patent:EP1710234,2006,A1.Locationinpatent:Page/Pagecolumn51-52

50-00-0    19968-17-3    860807-33-6 

[1]Patent:EP1710234,2006,A1.Locationinpatent:Page/Pagecolumn52

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