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Diss Factsheets

Administrative data

Endpoint:
pH
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Experimental Result

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 122 (Determination of pH, Acidity and Alkalinity)
Principles of method if other than guideline:
The pH determination of test item 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was done as per the test guideline OECD 122.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
EC Number:
249-694-9
EC Name:
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
Cas Number:
29556-33-0
Molecular formula:
C22H24N3O2.Cl
IUPAC Name:
2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium chloride
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study report): 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
- Molecular formula: C22H24N3O2.Cl
- Molecular weight: 397.904 g/mol
- Smiles notation: c1([n+](c2c(n1C)cccc2)C)c1c(oc2c(c1)ccc(c2)N(CC)CC)=O.[ClH-]
- InChl: 1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
- Molecular formula (if other than submission substance): C22H24N3O2.Cl
- Molecular weight (if other than submission substance): 347.4159
- Smiles notation (if other than submission substance): c1(c2c(oc3c(c2)ccc(N(CC)CC)c3)=O)nc2ccccc2n1C
- InChl (if other than submission substance): 1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
- Substance type: Organic
- Physical state: Solid

Reagents

Reagent:
water

Results and discussion

pH value
Key result
pH value:
6.69
Temp.:
34 °C
Remarks on result:
other: 1% w/v solution of the test item

Any other information on results incl. tables

TEST RESULTS

Method Details

Observations

Remarks if, any

Guideline

OECD 122

 

 

Method

 

Digital pH meter

 

Principle of method

The pH of an aqueous solution or dispersion in water is determined with a pH measurement interface equipped with an appropriate electrode system.

 

Temperature of 1% w/v test solution

-

34°C

pH (RESULT)

 

-

6.69

Inference

1.   Acidic

2.   Basic

3.   Neutral

 

Acidic

 

Applicant's summary and conclusion

Conclusions:
The pH of 1% w/v solution of the test item -[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was6.69 at 34°C.
Executive summary:

The pH determination of test item -[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 6.69 at 34°C.