1-nitroguanidine

Dissociation constant

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

dissociation constant

Type of information:

other: Collection of data

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Qualifier:

equivalent or similar to guideline

Guideline:

other: not reported

Principles of method if other than guideline:

Collection of data

GLP compliance:

not specified

Specific details on test material used for the study:

Test substance supplier not specified

No.:

#1

pKa:

12

Remarks on result:

other: No temperature stated

Nitroguaninide is both a week acid with a pKa of 12.8, and a weak base with a low pKa of -1.3. Nitroguanidine therefore exists predominantly as a neutral species under environmental conditions.

Conclusions:

Nitroguaninide is both a week acid with a pKa of 12.8, and a weak base with a low pKa of -1.3. Nitroguanidine therefore exists predominantly as a neutral species under environmental conditions.

Executive summary:

Nitroguaninide is both a week acid with a pKa of 12.8, and a weak base with a low pKa of -1.3. Nitroguanidine therefore exists predominantly as a neutral species under environmental conditions.

Reference 2

Endpoint:

dissociation constant

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 112 (Dissociation Constants in Water)

GLP compliance:

no

Specific details on test material used for the study:

Lot/batch No.: 931601

Dissociating properties:

yes

No.:

#1

pKa:

1.41

Temp.:

20 °C

No.:

#2

pKa:

1.55

Temp.:

20 °C

No.:

#3

pKa:

1.33

Temp.:

20 °C

No.:

#4

pKa:

1.38

Temp.:

20 °C

No.:

#5

pKa:

1

Temp.:

20 °C

No.:

#6

pKa:

1.41

Temp.:

20 °C

No.:

#7

pKa:

1.41

Temp.:

20 °C

No.:

#8

Temp.:

20 °C

Remarks on result:

other: Value was not included in the calculation due to the low measured conductivity and the appropriately resulting measuring inaccuracy.

No.:

#9

Temp.:

20 °C

Remarks on result:

other: Value was not included in the calculation due to the low measured conductivity and the appropriately resulting measuring inaccuracy.

The graphs for molar conductivity and the limit of conductivity are shown in the attached background material.

The limit of conductivity is determined to be 0.52 Ω^-1cm² mol^-1

Conclusions:

The dissociation constant (KD) was determined to be 0.0370 mol dm-3. The pKD-value is 1.43.

Executive summary:

The study was conducted according OECD Guideline 112 using the conductometric method. The dissociation constant (K_D) was determined to be 0.0370 mol dm^-3. The pK_D-value is 1.43.

Description of key information

The study was conducted according to OECD Guideline 112 using the conductometric method.

The dissociation constant (KD) was determined to be 0.0370 mol dm-3. The pKD-value is 1.43.
Additional information is provided within the supporting study from a collection of data: Nitroguaninide is both a week acid with a pKa of 12.8, and a weak base with a low pKa of -1.3. Nitroguanidine therefore exists predominantly as a neutral species under environmental conditions.

Key value for chemical safety assessment

pKa at 20°C:

1.43

Additional information

The study was conducted according the the appropriate OECD Guideline. The collection of data does not inlcude temperature information. Therefore the study result is used.