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622-75-3,MFCD00001923
Catalog No.:AA003DMQ

622-75-3 | 1,4-Phenylenediacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$23.00   $16.00
- +
25g
97%
in stock  
$63.00   $44.00
- +
  • 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:
AA003DMQ
Chemical Name:
1,4-Phenylenediacetonitrile
CAS Number:
622-75-3
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD00001923
SMILES:
N#CCc1ccc(cc1)CC#N
NSC Number:
513731
Properties
Properties
 
BP:
334°C at 760 mmHg  
Form:
Solid  
MP:
94-96 °C(lit.);  
Refractive Index:
1.6057 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Upstream Synthesis Route

[1]Patent:WO2017/216726,2017,A1,.Locationinpatent:Page/Pagecolumn1030

[1]JournaloftheAmericanChemicalSociety,2006,vol.128,#39,p.12714-12725

[1]MonatsheftefurChemie,2003,vol.134,#8,p.1159-1166

[2]ChemistryLetters,1982,p.517-520

[3]BulletinoftheChemicalSocietyofJapan,1973,vol.46,#1,p.270-275

[4]JournalofChemicalResearch,Miniprint,1980,#11,p.4572-4592

[1]JournaloftheChemicalSociety,1926,p.519

[2]Macromolecules,2004,vol.37,#18,p.7061-7063

[1]BeilsteinJournalofOrganicChemistry,2016,vol.12,p.2274-2279

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1928,p.2576

[1]JournaloftheChemicalSociety,1926,p.519

[1]MonatsheftefurChemie,2003,vol.134,p.1159-1166

[2]GreenChemistry,2011,vol.13,p.2888-2894

[3]ChemischeBerichte,1876,vol.9,p.1767

[4]ChemischeBerichte,1876,vol.9,p.1767

[5]JournaloftheChemicalSociety,1888,vol.53,p.41    ChemischeBerichte,1888,vol.21,p.42

[6]BulletinoftheChemicalSocietyofJapan,1973,vol.46,p.270-275

[1]Patent:US2003/229102,2003,A1.Locationinpatent:Page19

[2]JournalofMaterialsChemistry,2005,vol.15,p.3929-3936

[3]GreenChemistry,2012,vol.14,p.832-839

[4]HelveticaChimicaActa,1945,vol.28,p.674,686

[5]JournaloftheChemicalSociety.Chemicalcommunications,1978,p.934-936

[6]TetrahedronLetters,1992,vol.33,p.3943-3946

[7]Patent:US2449036,1946,

622-75-3    7423-50-9   
4-(2-amino-ethyl)-phenyl-acetonitrile 

[1]Patent:US2449036,1946,

Literature
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SDS
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