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4379-04-8,MFCD09038542
Catalog No.:AA003DDH

4379-04-8 | 1,3,5-PENTANETRICARBONITRILE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$559.00   $392.00
- +
500mg
95%
in stock  
$1,982.00   $1,388.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003DDH
Chemical Name:
1,3,5-PENTANETRICARBONITRILE
CAS Number:
4379-04-8
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD09038542
SMILES:
N#CC(CCC#N)CCC#N
NSC Number:
75083
Properties
Properties
 
BP:
190 °C / 0.5mmHg  
Form:
Liquid  
Refractive Index:
1.4670-1.4720  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0  

Downstream Synthesis Route

[1]Zahn;Schaefer[ChemischeBerichte,1959,vol.92,p.736,740]

[1]Huff,R.etal.[HelveticaChimicaActa,1977,vol.60,p.907-921]

908094-01-9    4379-04-8   
4,6-dicyano-hexanoicacidmethylester 
 
Dimethyl3-cyanoheptane-1,7-dioate 

[1]Effenberger;Osswald[Synthesis,2001,#12,p.1866-1872]

908094-01-9    4379-04-8   
Methylhydrogen3-cyanoheptane-1,7-dioate 
 
Dimethyl3-cyanoheptane-1,7-dioate 

[1]Effenberger;Osswald[Synthesis,2001,#12,p.1866-1872]

Literature
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SDS
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Tags:4379-04-8 Molecular Formula|4379-04-8 MDL|4379-04-8 SMILES|4379-04-8 1,3,5-PENTANETRICARBONITRILE
Catalog No.: AA003DDH
4379-04-8,MFCD09038542
4379-04-8 | 1,3,5-PENTANETRICARBONITRILE
Pack Size： 100mg
Purity： 95%
in stock
$559.00 $392.00
Pack Size： 500mg
Purity： 95%
in stock
$1,982.00 $1,388.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003DDH
Chemical Name: 1,3,5-PENTANETRICARBONITRILE
CAS Number: 4379-04-8
Molecular Formula: C8H9N3
Molecular Weight: 147.1772
MDL Number: MFCD09038542
SMILES: N#CC(CCC#N)CCC#N
NSC Number: 75083
Properties
BP: 190 °C / 0.5mmHg  
Form: Liquid  
Refractive Index: 1.4670-1.4720  
Storage: Room Temperature;  
Complexity: 220  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0  
Downstream Synthesis Route
99358-58-4    4379-04-8 

[1]Zahn;Schaefer[ChemischeBerichte,1959,vol.92,p.736,740]

63579-81-7    4379-04-8 

[1]Huff,R.etal.[HelveticaChimicaActa,1977,vol.60,p.907-921]

908094-01-9    4379-04-8   
4,6-dicyano-hexanoicacidmethylester 
 
Dimethyl3-cyanoheptane-1,7-dioate 

[1]Effenberger;Osswald[Synthesis,2001,#12,p.1866-1872]

908094-01-9    4379-04-8   
Methylhydrogen3-cyanoheptane-1,7-dioate 
 
Dimethyl3-cyanoheptane-1,7-dioate 

[1]Effenberger;Osswald[Synthesis,2001,#12,p.1866-1872]

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