Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
stability: thermal, sunlight, metals, other
Remarks:
Migrated from section 'Stability: thermal, sunlight, metals'
Type of information:
experimental study
Adequacy of study:
key study
Study period:
no data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed literature data

Data source

Reference
Reference Type:
publication
Title:
Photodissociation of methacrylonitrile at 193 nm: the CN radical product channel
Author:
Oh YC, Shin SK & Kim HL
Year:
2003
Bibliographic source:
The Journal of Physical Chemistry, 107(22): 4333-4338

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: no data
Deviations:
not specified
Principles of method if other than guideline:
Investigation of the photodissociation dynamics of methacrylonitrile
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Methacrylonitrile
EC Number:
204-817-5
EC Name:
Methacrylonitrile
Cas Number:
126-98-7
Molecular formula:
C4H5N
IUPAC Name:
methacrylonitrile
Details on test material:
No data

Results and discussion

For thermal stability study

Test substance thermally stable:
not determined
Sublimation:
not determined
Transformation products:
not specified

For study on stability to sunlight

Test substance stable to sunlight:
no

For study on stability to metals

Test substance stable to metals / metal ions:
not determined

Any other information on results incl. tables

Ab initio calculations were performed for the relevant product species and transition states for isomerisation and CN elimination.

Applicant's summary and conclusion

Conclusions:
The photodissociation of methacrylonitrile at 193 nm statistically occurs from the ground electronic state after internal conversion from the initial pi → pi* transition. Methacrylonitrile is isomerised to stable allyl cyanide by CN and H atom migration and dissociates into the CN and allyl radicals.