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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other:
Title:
No information
Year:
2014
Bibliographic source:
ChemSpider data base

Materials and methods

Principles of method if other than guideline:
The predicted logPow by ACD/Labs’ ACD/PhysChem Suite is 2.468.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(1-benzyl-1H-indazol-3-yl)methanol
EC Number:
603-485-2
Cas Number:
131427-21-9
Molecular formula:
C15H14N2O
IUPAC Name:
(1-benzyl-1H-indazol-3-yl)methanol

Results and discussion

Boiling point
Boiling pt.:
450.624 °C
Atm. press.:
760 mm Hg

Applicant's summary and conclusion

Conclusions:
The predicted boiling point by ACD/Labs’ ACD/PhysChem Suite is 450.624 °C at 760 mmHg.