4439-02-5,MFCD00005835
Catalog No.:AA003IBB

4439-02-5 | 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$32.00   $23.00
- +
5g
95%
in stock  
$80.00   $56.00
- +
25g
98%
in stock  
$243.00   $170.00
- +
100g
98%
in stock  
$865.00   $605.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003IBB
Chemical Name:
2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
CAS Number:
4439-02-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00005835
SMILES:
N#CCc1ccc2c(c1)OCO2
Properties
Properties
 
BP:
299.7°C at 760 mmHg  
Form:
Solid  
MP:
43-45 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
208  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature
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Additional Info:
SDS
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Tags:4439-02-5 Molecular Formula|4439-02-5 MDL|4439-02-5 SMILES|4439-02-5 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
Catalog No.: AA003IBB
4439-02-5,MFCD00005835
4439-02-5 | 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
Pack Size: 1g
Purity: 95%
in stock
$32.00 $23.00
Pack Size: 5g
Purity: 95%
in stock
$80.00 $56.00
Pack Size: 25g
Purity: 98%
in stock
$243.00 $170.00
Pack Size: 100g
Purity: 98%
in stock
$865.00 $605.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003IBB
Chemical Name: 2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile
CAS Number: 4439-02-5
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574
MDL Number: MFCD00005835
SMILES: N#CCc1ccc2c(c1)OCO2
Properties
BP: 299.7°C at 760 mmHg  
Form: Solid  
MP: 43-45 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 208  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
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