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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

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

Reference
Reference Type:
review article or handbook
Title:
ID : 38
Year:
2011
Bibliographic source:
SciFinder, American Chemical Society (ACS):-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2012 ACD/Labs)

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2012 ACD/Labs)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,4-xylidine
EC Number:
202-437-4
EC Name:
3,4-xylidine
Cas Number:
95-64-7
Molecular formula:
C8H11N
IUPAC Name:
3,4-dimethylaniline

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
5.15
Temp.:
25 °C
Remarks on result:
other: pKa : 5.15±0.10 ; Most Basic

Applicant's summary and conclusion

Executive summary:

pKa : 5.15±0.10 ;

Most Basic ;

Temp : 25 °C