Home Other Building Blocks 4439-02-5
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
  
5g
98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$56.00   $39.00
- +
100g
98%
in stock  
$179.00   $125.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
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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
IUPAC Name:
2-(1,3-benzodioxol-5-yl)acetonitrile
InChI:
InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChI Key:
ZQPBOYASBNAXOZ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)OCO2
EC Number:
224-655-9
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
4439-02-5 
3,4-(Methylenedioxy)phenylacetonitrile 
MFCD00005835 
3,4-methylenedioxybenzylcyanide 
Homopiperonylnitrile 
Homopiperonylonitrile 
AC1L2UNS 
ACMC-1AML8 
AC1Q4S1L 
AC1Q4S3P 
SCHEMBL141712 
CTK3J6723 
1,3-Benzodioxole-5-acetonitrile 
KS-00000LYG 
KS-00003KAH 
DTXSID50196149 
a-cyano-3,4-methylenedioxytoluene 
benzo[1,3]dioxole-5-acetonitrile 
ZINC388274 
3,4-methylenedioxyphenylacetonitile 
EINECS 224-655-9 
(1,3-Benzodioxol-5-yl)acetonitrile 
1,3-Benzodioxol-5-ylacetonitrile # 
3,4-Methylenedioxyphenylacetonitrile 
ANW-13902 
benzo[1,3]dioxol-5-yl-acetonitrile 
CK1017 
AKOS001359218 
FS-1043 
MCULE-8931650245 
NE10408 
RTR-017082 
2-(1,3-benzodioxol-5-yl)-acetonitrile 
[3,4-(methylenedioxy)phenyl]acetonitrile 
2-(Benzo[d][1,3]dioxol-5-yl)acetonitrile 
443-92-5 
927-38-8 
AJ-20523 
SC-80540 
SY031615 
ZB011396 
3,4-METHYLENEDIOXYBENZENEACETONITRIL 
AI3-21056 
DB-021962 
ST2416153 
3,4-Methylenedioxybenzyl Cyanide 
TR-017082 
CS-0033767 
FT-0614405 
FT-0682041 
M1923 
ST50408041 
V0186 
3,4-(Methylenedioxy)phenylacetonitrile, 99% 
EN300-26831 
MFCD00005835 (98%) 
2-(1,3-benzodioxol-5-yl)acetonitrile 
2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)ethanenitrile 
I14-10303 
I14-27491 
3-propylbenzoic acid 
C9H7NO2 
KST-1A9356 
CID78178 
AR-1B6515 
ZINC00388274 
ACN-029977 
1,3-Benzodioxol-5-ylacetonitrile 
4719-04-4 
2-(2H-1,3-benzodioxol-5-yl)acetonitrile 
ZQPBOYASBNAXOZ-UHFFFAOYSA-N 
Literature
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