2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride

pH

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

Test material information

Constituent 1

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.