114897-91-5,MFCD07368653
Catalog No.:AA000FBH

114897-91-5 | 4-Bromo-2-fluorobenzyl cyanide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$13.00   $9.00
- +
10g
98%
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$50.00   $35.00
- +
100g
98
in stock  
$97.00   $68.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000FBH
Chemical Name:
4-Bromo-2-fluorobenzyl cyanide
CAS Number:
114897-91-5
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD07368653
SMILES:
N#CCc1ccc(cc1F)Br
Properties
Properties
 
BP:
281.2°C at 760 mmHg  
Form:
Solid  
MP:
52.8-53 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:EP2700643,2014,A1,.Locationinpatent:Paragraph0188

[2]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page111-112

[3]Patent:WO2014/141187,2014,A1,.Locationinpatent:Page/Pagecolumn54;44;56;57

[4]Patent:WO2016/38519,2016,A1,.Locationinpatent:Page/Pagecolumn36

[5]Patent:WO2016/38552,2016,A1,.Locationinpatent:Page/Pagecolumn50

[6]ACSMedicinalChemistryLetters,2018,vol.9,#7,p.623-628

[7]Patent:US2010/137276,2010,A1,.Locationinpatent:Page/Pagecolumn23

[8]Patent:US2014/275111,2014,A1,.Locationinpatent:Paragraph0233;0234

[9]OrganicProcessResearchandDevelopment,2006,vol.10,#4,p.814-821

[10]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page237

[1]Patent:WO2006/46593,2006,A1,.Locationinpatent:Page/Pagecolumn177

[2]Patent:EP1764075,2007,A1,.Locationinpatent:Page/Pagecolumn104

[3]Patent:WO2006/109633,2006,A1,.Locationinpatent:Page/Pagecolumn165

[4]Patent:US2005/176701,2005,A1,.Locationinpatent:Page/Pagecolumn58

[5]Patent:US2006/160800,2006,A1,.Locationinpatent:Page/Pagecolumn76

[1]Patent:WO2006/18725,2006,A1,.Locationinpatent:Page/Pagecolumn172

[2]Patent:US7034045,2006,B1,.Locationinpatent:Page/Pagecolumn84-85

[3]Patent:US2005/176701,2005,A1,.Locationinpatent:Page/Pagecolumn111

[4]JournalofMedicinalChemistry,2007,vol.50,#17,p.3969-3972

[1]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page130

[2]Patent:WO2013/43232,2013,A2,.Locationinpatent:Paragraph00603;00650

[3]Patent:WO2013/40863,2013,A1,.Locationinpatent:Page/Pagecolumn100

[1]Patent:US2004/63680,2004,A1,

[2]Patent:US5827863,1998,A,

[3]Patent:US4895862,1990,A,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1992,vol.35,p.1176-1183

[1]Patent:EP1916239,2008,A1.Locationinpatent:Page/Pagecolumn33

[1]Patent:EP1916239,2008,A1.Locationinpatent:Page/Pagecolumn33

[1]Patent:WO2006/18725,2006,A1.Locationinpatent:Page/Pagecolumn172

[2]Patent:US7034045,2006,B1.Locationinpatent:Page/Pagecolumn84-85

[3]Patent:US2005/176701,2005,A1.Locationinpatent:Page/Pagecolumn111

[4]JournalofMedicinalChemistry,2007,vol.50,p.3969-3972

[1]Patent:WO2006/18725,2006,A1.Locationinpatent:Page/Pagecolumn172

[2]Patent:WO2004/74270,2004,A2.Locationinpatent:Page130

[3]Patent:US2005/176701,2005,A1.Locationinpatent:Page/Pagecolumn58

[4]JournalofMedicinalChemistry,2007,vol.50,p.3969-3972

[5]Patent:WO2013/40863,2013,A1.Locationinpatent:Page/Pagecolumn57;100;140

Literature
Quotation Request
Company Name:
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Contact Person:
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Quantity Required:
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Additional Info:
SDS
Related Products of 114897-91-5
Tags:114897-91-5 Molecular Formula|114897-91-5 MDL|114897-91-5 SMILES|114897-91-5 4-Bromo-2-fluorobenzyl cyanide
Catalog No.: AA000FBH
114897-91-5,MFCD07368653
114897-91-5 | 4-Bromo-2-fluorobenzyl cyanide
Pack Size: 5g
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 10g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 25g
Purity: 98%
in stock
$50.00 $35.00
Pack Size: 100g
Purity: 98
in stock
$97.00 $68.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000FBH
Chemical Name: 4-Bromo-2-fluorobenzyl cyanide
CAS Number: 114897-91-5
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344
MDL Number: MFCD07368653
SMILES: N#CCc1ccc(cc1F)Br
Properties
BP: 281.2°C at 760 mmHg  
Form: Solid  
MP: 52.8-53 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 174  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 2.4  
Upstream Synthesis Route
773837-37-9    76283-09-5    114897-91-5 

[1]Patent:EP2700643,2014,A1,.Locationinpatent:Paragraph0188

[2]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page111-112

[3]Patent:WO2014/141187,2014,A1,.Locationinpatent:Page/Pagecolumn54;44;56;57

[4]Patent:WO2016/38519,2016,A1,.Locationinpatent:Page/Pagecolumn36

[5]Patent:WO2016/38552,2016,A1,.Locationinpatent:Page/Pagecolumn50

[6]ACSMedicinalChemistryLetters,2018,vol.9,#7,p.623-628

[7]Patent:US2010/137276,2010,A1,.Locationinpatent:Page/Pagecolumn23

[8]Patent:US2014/275111,2014,A1,.Locationinpatent:Paragraph0233;0234

[9]OrganicProcessResearchandDevelopment,2006,vol.10,#4,p.814-821

[10]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page237

151-50-8    76283-09-5    114897-91-5 

[1]Patent:WO2006/46593,2006,A1,.Locationinpatent:Page/Pagecolumn177

[2]Patent:EP1764075,2007,A1,.Locationinpatent:Page/Pagecolumn104

[3]Patent:WO2006/109633,2006,A1,.Locationinpatent:Page/Pagecolumn165

[4]Patent:US2005/176701,2005,A1,.Locationinpatent:Page/Pagecolumn58

[5]Patent:US2006/160800,2006,A1,.Locationinpatent:Page/Pagecolumn76

143-33-9    76283-09-5    114897-91-5 

[1]Patent:WO2006/18725,2006,A1,.Locationinpatent:Page/Pagecolumn172

[2]Patent:US7034045,2006,B1,.Locationinpatent:Page/Pagecolumn84-85

[3]Patent:US2005/176701,2005,A1,.Locationinpatent:Page/Pagecolumn111

[4]JournalofMedicinalChemistry,2007,vol.50,#17,p.3969-3972

76283-09-5    114897-91-5 

[1]Patent:WO2004/74270,2004,A2,.Locationinpatent:Page130

[2]Patent:WO2013/43232,2013,A2,.Locationinpatent:Paragraph00603;00650

[3]Patent:WO2013/40863,2013,A1,.Locationinpatent:Page/Pagecolumn100

76283-09-5    114897-91-5 

[1]Patent:US2004/63680,2004,A1,

[2]Patent:US5827863,1998,A,

[3]Patent:US4895862,1990,A,

Downstream Synthesis Route
114897-91-5    128104-38-1 

[1]JournalofMedicinalChemistry,1992,vol.35,p.1176-1183

13435-20-6    76283-09-5    114897-91-5 

[1]Patent:EP1916239,2008,A1.Locationinpatent:Page/Pagecolumn33

64-17-5    114897-91-5    924312-09-4 

[1]Patent:EP1916239,2008,A1.Locationinpatent:Page/Pagecolumn33

143-33-9    76283-09-5    114897-91-5 

[1]Patent:WO2006/18725,2006,A1.Locationinpatent:Page/Pagecolumn172

[2]Patent:US7034045,2006,B1.Locationinpatent:Page/Pagecolumn84-85

[3]Patent:US2005/176701,2005,A1.Locationinpatent:Page/Pagecolumn111

[4]JournalofMedicinalChemistry,2007,vol.50,p.3969-3972

114897-91-5    74-88-4    749928-77-6 

[1]Patent:WO2006/18725,2006,A1.Locationinpatent:Page/Pagecolumn172

[2]Patent:WO2004/74270,2004,A2.Locationinpatent:Page130

[3]Patent:US2005/176701,2005,A1.Locationinpatent:Page/Pagecolumn58

[4]JournalofMedicinalChemistry,2007,vol.50,p.3969-3972

[5]Patent:WO2013/40863,2013,A1.Locationinpatent:Page/Pagecolumn57;100;140

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