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Physical & Chemical properties

Dissociation constant

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Administrative data

Endpoint:
dissociation constant
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The value was calculated using Advanced Chemistry Development (ACD/Labs) Software V8.14 ((C) 1994-2009 ACD/Labs).
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1,2,4-triazole
EC Number:
206-022-9
EC Name:
1,2,4-triazole
Cas Number:
288-88-0
Molecular formula:
C2H3N3
IUPAC Name:
1H-1,2,4-triazole
Details on test material:
The substance was identified in CAS Registry File by CAS number. (1,2,4-Triazole)

Results and discussion

Dissociating properties:
yes
Dissociation constantopen allclose all
No.:
#1
pKa:
10.18
Temp.:
25 °C
No.:
#2
pKa:
3
Temp.:
25 °C

Applicant's summary and conclusion