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876-31-3,MFCD00060305
Catalog No.:AA003L6Q

876-31-3 | 4-(Cyanomethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$8.00   $6.00
- +
5g
95%
in stock  
$16.00   $11.00
- +
100g
96%
in stock  
$211.00   $148.00
- +
500g
96%
in stock  
$1,000.00   $700.00
- +
  • 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:
AA003L6Q
Chemical Name:
4-(Cyanomethyl)benzonitrile
CAS Number:
876-31-3
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00060305
SMILES:
N#CCc1ccc(cc1)C#N
NSC Number:
97215
Properties
Properties
 
BP:
180-181℃  
Form:
Solid  
MP:
100-104 °C(lit.)  
Refractive Index:
1.499  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
206  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Upstream Synthesis Route

[1]Patent:WO2016/199111,2016,A1,.Locationinpatent:Paragraph00123-00126

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,#45,p.15824-15832

[1]TetrahedronLetters,2012,vol.53,#23,p.2825-2827

[1]JournaloftheAmericanChemicalSociety,2011,vol.133,#18,p.6948-6951

[1]RussianChemicalBulletin,2016,vol.65,#10,p.2430-2436

[2]Izv.Akad.Nauk,Ser.Khim.,2016,vol.10,p.2430-2436,6

Downstream Synthesis Route

[1]JournalfurpraktischeChemie(Leipzig1954),1929,vol.<2>121,p.86,90

108-73-6    876-31-3   
2',4',6'-trihydroxy-α'-oxo-bibenzyl-4-carbonitrile 

[1]Sci.Rep.TohokuUniv.,Ser.1:Phys.,Chem.,Astron.,1933,vol.<I>22,p.167,169    ChemischesZentralblatt,1933,vol.104,p.872

64-17-5    876-31-3   
2-(4-carbamimidoyl-phenyl)-acetamidine 

[1]JournaloftheChemicalSociety,1942,p.103,107

[1]Patent:WO2016/199111,2016,A1.Locationinpatent:Paragraph00127-00128

[2]ChemischeBerichte,1935,vol.68,p.1267,1270

[3]JournalfurpraktischeChemie(Leipzig1954),1893,vol.<2>47,p.532

[4]ChemischeBerichte,1889,vol.22,p.3208

[1]ChemischeBerichte,1889,vol.22,p.3208

[2]ChemischeBerichte,1889,vol.22,p.2979

Literature

Title: 3-Hydroxypyrrolo[2,3-b]pyridine and related compounds - indoxyl analogues with fused electron deficient rings.

Journal: Organic & biomolecular chemistry 20101121

Title: Nucleophilicities of the anions of arylacetonitriles and arylpropionitriles in dimethyl sulfoxide.

Journal: The Journal of organic chemistry 20090102

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SDS
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