Registration Dossier

Administrative data

Endpoint:
explosiveness
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Recently conducted calculation undertaken by an ISO9001:2008 accredited facility, using the latest methods in accordance with the general fundamental principles of recognised guidelines and deemed scientifically acceptable based on the results
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
other:

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Principles of method if other than guideline:
The oxygen balance is calculated from the empirical formula of a compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water, and metal to metal oxide.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Small-scale preliminary testsopen allclose all
Parameter:
other: More sensitive to shock than m-dinitrobenzene
Remarks:
migrated information
Remarks on result:
other: no data
Parameter:
other: More sensitive to friction than m-dinitrobenzene
Remarks:
migrated information
Remarks on result:
other: no data
Parameter:
other: Explosive under influence of flame
Remarks:
migrated information
Remarks on result:
other: no data
Parameter:
other: Explosive (not specified)
Remarks:
migrated information
Remarks on result:
negative (not further specified)
Remarks:
Based on structural alerts and oxygen balance

Any other information on results incl. tables

-O-O- Inorganic and organic peroxides No
R-C(O)C-R Epoxides No
-O-O-O- Inorganic and organic Ozinides No
-OClO2 Inorganic and organic chlorates No
-OClO3 Inorganic and organic perchlorates No
-N-X2 Where X is a halogen or oxygen No
O-X Where X is a halogen No
R-ON=O, -ONO2 Inorganic and organic nitro compounds  No
R-N=O, R2-N-N=O Inorganic and organic nitroso compounds  No
-N=N- Azo No
R-N2 Diazo No
-N=N=N- Azides No
R-N=N-N=N-R Tetrazole No
R-N=N-N-R Triazene No
.-C=N-O-M Fulminates No
R-C≡C- , -C≡C-M Acetylene and metal acetylides No
M-C Metal alkyl No
Based on structural groups, is the substance potentially explosive? NO

The oxygen balance was calculated on the predicted smallest and largest structures for the substance to calculate the oxygen balance for the extremes of structure.

Oxygen Balance (OB) Calculator

OB% = -1600 x (2X + (Y/2) + M-Z) Mol.wt of substance

From Molecular Formula No of atoms Atomic weight Total molecular mass
Carbon 24 12.011 288.264
Hydrogen 48 1.0079 48.3792
Oxygen 4 15.9994 63.9976
Nitrogen 0 14.0067 0
Sulphur 0 32.06 0
Fluorine 0 18.998403 0
Chlorine 0 35.453 0
Bromine 0 79.904 0
Iodine 0 126.9045 0
Phosphorus 0 30.97376 0
    MW of M  
Metal Ion 1 - Sn 1 50 50
Metal Ion 2 0 0 0
Substance Molecular Weight 450.6408
Oxygen Balance (%) =  -244.9844754
Potentially Explosive based on OB (< -200%)? No

Applicant's summary and conclusion

Interpretation of results:
non explosive
Remarks:
Migrated information
Conclusions:
Based on the information and review of the above substance, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.
Executive summary:

The explosive properties of the substance has been assessed by review of the functional groups of the chemical structure and oxygen balance. The substance is considered to contain no functional groups and an oxygen balance that would sustain explosive properties. It is therefore predicted that the substance does not possess explosive properties and it is therefore considered not scientically justified to conduct a full study.