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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Dissociation constant

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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)

Data source

Referenceopen allclose all

Reference Type:
other: QSAR toolbox
Title:
No information
Year:
2011
Bibliographic source:
OECD QSAR toolbox version 2.2, 2011; Phys-chem EPISUITE; PERRIN,DD (1972)
Reference Type:
review article or handbook
Title:
Predicted data by SRC database
Year:
2012
Bibliographic source:
SRC PhysProp Database: PERRIN,DD; 1972

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimation database
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-nitro-p-anisidine
EC Number:
202-547-2
EC Name:
2-nitro-p-anisidine
Cas Number:
96-96-8
Molecular formula:
C7H8N2O3
IUPAC Name:
4-methoxy-2-nitroaniline

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
0.77
Temp.:
25 °C

Applicant's summary and conclusion

Executive summary:

The Dissociation Constant (pKa) of the substance is found to be 0.77 at 25 deg C.