4439-02-5
Product Name:
3,4-(Methylenedioxy)phenylacetonitrile
Formula:
C9H7NO2
Synonyms:
1,3-Benzodioxole-5-acetonitrile;Homopiperonylnitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Faintly beige powder; [MSDSonline] |
|---|---|
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 161.16 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.047678466 g/mol |
| Monoisotopic Mass | 161.047678466 g/mol |
| Topological Polar Surface Area | 42.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 208 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |