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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Data source

Reference
Reference Type:
publication
Title:
Substance Detail of FNTC
Year:
2022
Bibliographic source:
SciFinder Database

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
EC Number:
840-148-0
Cas Number:
308831-94-9
Molecular formula:
C24H22F2N2O6S
IUPAC Name:
Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
Test material form:
solid: particulate/powder

Results and discussion

Density
Density:
>= 1.302 - <= 1.422 g/cm³
Temp.:
20 °C
Remarks on result:
other: Calculated using ACD Labs Software

Applicant's summary and conclusion

Conclusions:
Predicted density of ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate is 1.362±0.06 g/cm3. Result was calculated using ACD Labs Software.