N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Nanomaterial crystalline phase

Administrative data

Endpoint:

nanomaterial crystalline phase

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Principles of method if other than guideline:

no guideline followed

Type of method:

x-ray diffraction (XRD)

Test material

Test material information

Constituent 1

Reference substance name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

EC Number:

268-028-8

EC Name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Cas Number:

67990-05-0

Molecular formula:

C32H25ClN4O5

IUPAC Name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-2-naphthamide

Test material form:

solid: nanoform

Data gathering

Instruments:

Rigaku, Ultima IV Diffractometer
X-ray source: Cu tube (40 kV, 40 mA), Ni filter
Angular range in 2-Theta: 4-35°
step size: 0.02°
scan time per step: 0.6 s
Detector type: Scintillation counter

Results and discussion

Crystalline phase

Remarks on result:

not determinable

Remarks:

No third party data for C. I. Pigment Red 269 was found on the XRD profiles, the crystal structure names, and the crystallographic parameters.

Any other information on results incl. tables

 

Diffraction angle 2θ (°)	Relative intensity (%)
4.111	13.5
5.566	46.6
10.248	3.7
11.425	7.9
12.707	3.2
13.106	48.6
18.004	25.1
18.357	29.4
20.225	55.8
22.842	7.4
24.364	5.1
24.674	7.3
27.145	100.0

 

There were 6 large peaks at 5.566, 13.106, 18.004, 18.357, 20.225, and 27.145°, and many small peaks. Supposing that 1) C. I. Pigment Red 269 consists of crystalline constituents and amorphous constituents; 2) the crystalline constituents show 10 peaks at 5.566, 10.248, 11.425, 13.106, 18.004, 18.357, 20.225, 22.842, 24.364, and 27.145°; and 3) the amorphous constituentsshowbroad peaks at 4.111, 12.707, and 24.674°, we fitted the XRD profile by a pseudo-Voigt function. We calculated the percentage of the area originated from the crystalline constituents (orange shaded parts) / the whole area originated from C. I. Pigment Red 269 (orange and light blue shaded parts) as the crystallinity at 89% (see attachment).