1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-

Density

Link to relevant study record(s)

Reference

Endpoint:

density, other

Remarks:

Density

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard OECD test guidelines.

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Principles of method if other than guideline:

The density of 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-b was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014.

GLP compliance:

not specified

Type of method:

other: method recommended in the International Pharmacopoeia, fourth Edition, 2014.

Specific details on test material used for the study:

- Name of test material: 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-
- IUPAC name: 4-{[4-({3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-6-[(E)-2-(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzene-1,3-disulfonic acid
- Molecular formula: C27H24Cl2N14O12S3
- Molecular weight: 903.6766 g/mole
- Smiles : CCN1C(=O)C(=C(C(=NNC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)NC4=CC(=C(C=C4)S(=O)
(=O)O)NC5=NC(=NC(=N5)N)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)C1=O)C)C(=O)N
- Inchl: 1S/C27H24Cl2N14O12S3/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40)/b42-41+
- Substance type: Organic
- Physical state: Solid powder (red)

Key result

Type:

pour density

Density:

0.635 g/cm³

Temp.:

20 °C

Remarks on result:

other: at 969.5 hpa pressure

Key result

Type:

tap density

Density:

0.715 g/cm³

Temp.:

20 °C

Remarks on result:

other: at 969.5 hpa pressure

TEST ITEM DESCRIPTION AND RESULTS

FOR SOLIDS:

By Pour Density and Tapped Density Method:

Method Details		Observations		Remarks if, any
Guideline	OECD 109	1st Reading	2nd Reading
Method	Test methods: Pour density and tapped density of powders recommended in The International Pharmacopoeia, Fourth Edition, 2014
Principle of method	Pour Density:It is the ratio of known weight of test item and its volume in graduated glass cylinder. Tap Density:It is the difference between the volume of test item measured before & after tapping in the graduated glass cylinder.
Test temperature (°C)	-	26.9°C	25.8°C
Atmospheric pressure (in hPa)	-	969.2	969.8
Weight of test item(m)		20.010	20.005
Volume of measuring cylinder; readability in g		50ml; 1 ml	50 ml; 1 ml
Volume of test item without tapping (V)		32	31
Volume of test item after tapping ( V1)	After 10 tapping	29	30
	After 50 tapping	27	29
	After 100 tapping	27	29
	After 250 tapping	-	-
	After 500 tapping	-	-
	After 750 tapping	-	-

*ρat=density of air at 27°C and 760 mm Hg pressure=0.001168 g/cm³

**Density of water referred from the Table 1 of the was method.

 

 

 

 

FOR SOLIDS:

By Pour Density and Tapped Density Method:

 

 

Parameters	Details	Calculated values		Average Density
		1st Calculation	2nd Calculation
Pour Density of test Item (g/cm³)	= m / V	0.6253	0.6453	0.6353
Tap density of test Item (g/cm³)	= m / V1	0.7411	0.6898	0.7154

 

 

Conclusions:

The mean pour density and tapped density of 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro- 2-hydroxy-4-methyl-6-oxo- 3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-b (CAS No. 93941-80-1) was determined to be 0.6353 g/cm³ and 0.7154 g/cm³at 20°C and 969.5 hPa.

Executive summary:

The density of test item 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl] azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2- yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-b (CAS No. 93941-80-1)was

determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus.The mean pour density and tapped density of test

item was determined to be 0.6353 g/cm³ and 0.7154 g/cm³at 20°C and 969.5 hPa.

Description of key information

The mean pour density and tapped density of 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro- 2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-b (CAS No. 93941-80-1) was determined to be 0.6353 g/cm³ and 0.7154 g/cm³at 20°C and 969.5 hPa.

Key value for chemical safety assessment

Relative density at 20C:

0.715

Additional information

The density of test item 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl] azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2- yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-b (CAS No. 93941-80-1)was

determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus.The mean pour density and tapped density of test

item was determined to be 0.6353 g/cm³ and 0.7154 g/cm³at 20°C and 969.5 hPa.