1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-

Additional physico-chemical information

Administrative data

Endpoint:

other: UV/Visible absorption spectrum and molar absorptivity

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

11/15/2005 - 06/23/2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Well documented GLP and OECD guidline study, conducted according to OECD 101.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2006

Report date:

2006

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: OECD 101 (1981)

Deviations:

no

Remarks:

The study was conducted according to the guideline in effect at time of study conduct.

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

481-150-8

EC Name:

-

Cas Number:

500011-86-9

Molecular formula:

C9H5BrClN3O2

IUPAC Name:

3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Constituent 2

Reference substance name:

1H-Pyrazole-5-Carboxylic Acid, 3-Bromo-1-(3-Chloro-2-Pyridinyl)-

IUPAC Name:

1H-Pyrazole-5-Carboxylic Acid, 3-Bromo-1-(3-Chloro-2-Pyridinyl)-

Constituent 3

Reference substance name:

DBC80

IUPAC Name:

DBC80

Details on test material:

Substance Identity: IN-DBC80
Empirical formula : C9H5BrClN3O2
Molecular weight : 302.52
Sample code : IN-DBC80
Appearance : Tan colour powder
Purity: 96.7%
Date of sample expiration: 07/22/2008
Lot No: 008

Results and discussion

Results:

Preliminary test: The samples when initially scanned in triplicate from 200-750 nm showed no absorbance after 350 nm. Therefore the definitive testing was conducted for all the samples from 200 to 350 nm.

Definitive test: The molar absorption coefficients were calculated for the absorption maxima at each pH. The molar absorption coefficients for the pH 1.8 buffer were determined to be 40331, 39998, 37980 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively. The molar absorption coefficients for the pH 7.0 buffer were determined to be 59269, 63549, 63434 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively. The molar absorption coefficients for the pH 10.0 buffer were determined to be 42875, 42598, 41616 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively.

Any other information on results incl. tables

All verification tests indicated that the instrument was performing correctly and accurately. The temperature was maintained at 25 ± 0.5°Celcius during the analysis. The UV/visible spectra of the 7.2, 6 and 5 ug/mL test substance solutions at pH 1.8, 7 and 10 showed absorption maxima (lamda max) at 215 nm. The blank versus blank scans showed no absorbance readings varying more than ± 0.05 from the nominal zero value.

Applicant's summary and conclusion

Conclusions:

The UV/visible spectra of IN-DBC80 under acidic, neutral and basic conditions showed absorption maxima at 215 nm for the 7.2, 6 and 5 μg/mL test solutions. The molar absorption coefficients for the pH 1.8 buffer were determined to be 40331, 39998, 37980 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively. The molar absorption coefficients for the pH 7.0 buffer were determined to be 59269, 63549, 63434 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively. The molar absorption coefficients for the pH 10.0 buffer were determined to be 42875, 42598, 41616 L mol-1 cm-1, for the 7.2, 6.0 and 5.0 μg/ml solutions respectively.