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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically acceptable method

Data source

Reference
Reference Type:
other: calculation
Title:
Isoquinoline
Author:
BASF SE
Year:
2010
Bibliographic source:
BASF SE Department of Product Safety, unpublished calculation, SPARC v.4.5, 2010-12-13

Materials and methods

Test guideline
Guideline:
other: calculation
Principles of method if other than guideline:
calculation with SPARC v4.5 program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Isoquinoline
EC Number:
204-341-8
EC Name:
Isoquinoline
Cas Number:
119-65-3
Molecular formula:
C9H7N
IUPAC Name:
isoquinoline

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
5.19
Temp.:
25 °C

Applicant's summary and conclusion