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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Endpoint:
dissociation constant
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance is hydrolytically unstable (half-life less than 12 hours)
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARS R.6
Version / remarks:
2008
Deviations:
no
Principles of method if other than guideline:
Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (1994-2013 ACD/Labs)
Input parameter: SMILES code
GLP compliance:
no
Specific details on test material used for the study:
SMILES: Nc(c(cc(c(ccc(N)c1C)c1)c2)C)c2
Dissociating properties:
not determined
No.:
#1
pKa:
4.59
Temp.:
25 °C
Remarks on result:
other: +/- 0.10
Conclusions:
The pKa of 4,4'-bi-o-toluidine (TODA) was reported to be 4.59+/- 0.10 at 25 °C.
Executive summary:

The pKa of 4,4'-bi-o-toluidine (TODA) was reported to be 4.59 +/- 0.10 at 25 °C.

Description of key information

The study does not need to be conducted because the substance is hydrolytically unstable (half-life less than 12 hours).

Key value for chemical safety assessment

Additional information

The pKa of TODI's hydrolysis degradation product [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl- (TODA) was reported to be 4.59+/- 0.10 at 25 °C.