Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
density, other
Remarks:
Predicted
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Justification for type of information:
QSAR prediction by ACD Labs software

Data source

Reference
Reference Type:
publication
Title:
Substance Detail of BNTC
Year:
2022
Bibliographic source:
SciFinder database

Materials and methods

Test guideline
Qualifier:
no guideline followed
Guideline:
other: Calculated using Advanced Chemistry Development (ACD/Labs) Software
Principles of method if other than guideline:
Calculated using Advanced Chemistry Development (ACD/Labs) Software.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl 4-(bromomethyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-(4-nitrophenyl)thiophene-3-carboxylate
Cas Number:
308831-95-0
Molecular formula:
C24H21BrF2N2O6S
IUPAC Name:
Ethyl 4-(bromomethyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-(4-nitrophenyl)thiophene-3-carboxylate
Test material form:
solid: particulate/powder

Results and discussion

Density
Type:
density
Density:
1.461 - 1.581 g/cm³
Temp.:
25 °C
Remarks on result:
other: Calculated using Advanced Chemistry Development (ACD/Labs) Software

Applicant's summary and conclusion

Conclusions:
The density of BNTC is 1.521±0.06 g/cm3 according to the calculation of Advanced Chemistry Development (ACD/Labs) Software.