Home Bromides 31938-07-5
31938-07-5,MFCD00001906
Catalog No.:AA003J23

31938-07-5 | 2-(3-Bromophenyl)acetonitrile

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5g
98%
in stock  
$7.00   $5.00
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10g
98%
in stock  
$9.00   $7.00
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25g
98%
in stock  
$22.00   $15.00
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100g
98%
in stock  
$45.00   $32.00
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500g
98%
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$222.00   $156.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003J23
Chemical Name:
2-(3-Bromophenyl)acetonitrile
CAS Number:
31938-07-5
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00001906
SMILES:
N#CCc1cccc(c1)Br
Properties
Properties
 
BP:
286.2°C at 760 mmHg  
Form:
Liquid  
MP:
26-29 °C  
Refractive Index:
1.57  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Upstream Synthesis Route

[1]Journalofmedicinalchemistry,1970,vol.13,#6,p.1040-1042

[2]Patent:US5639780,1997,A,

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3018-3022

[2]JournalfuerPraktischeChemie(Leipzig),1932,vol.<2>133,p.331,346

[3]JournaloftheChemicalSociety,1948,p.1251,1254

[4]JahresberichtueberdieFortschrittederChemieundVerwandterTheileAndererWissenschaften,1880,p.481

[1]Patent:EP1834953,2007,A1,.Locationinpatent:Page/Pagecolumn20

[2]Patent:US2008/21080,2008,A1,.Locationinpatent:Page/Pagecolumn17-18

[1]AngewandteChemie-InternationalEdition,2014,vol.53,#39,p.10510-10514

[2]Angew.Chem.,2014,vol.126,#39,p.10678-10682,5

[1]JournaloftheChemicalSociety,1948,p.1251,1254

Downstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2019,vol.10,p.1134-1139

[2]JournalofMedicinalChemistry,2015,vol.58,p.7341-7348

[3]Patent:US3526656,1970,    Chem.Abstr.,1970,vol.73

[4]Patent:WO2009/137404,2009,A1.Locationinpatent:Page/Pagecolumn75

31938-07-5    103-72-0    4755-77-5   
(Z)-2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione 
 
(3-Bromo-phenyl)-4,5-dioxo-3-phenyl-thiazolidin-(2E)-ylidene-acetonitrile 

[1]BioorganicandMedicinalChemistry,2005,vol.13,p.4402-4407

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.2689-2692

31938-07-5    616-38-6   
methyl2-(3-bromophenyl)-2-cyanoacetate 

[1]JournaloftheAmericanChemicalSociety,2006,vol.128,p.6810-6812

[2]Patent:US2016/158377,2016,A1.Locationinpatent:Paragraph0770

[3]Patent:WO2017/214458,2017,A2.Locationinpatent:Page/Pagecolumn381

[4]Patent:WO2017/214301,2017,A1.Locationinpatent:Page/Pagecolumn327

[1]JournalofMedicinalChemistry,2006,vol.49,p.1450-1454

Literature
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