Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 274-493-8 | CAS number: 70239-77-9
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- density, other
- Remarks:
- Density
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Predicted data from ACD/Labs and Scifinder
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
- GLP compliance:
- not specified
- Type of method:
- other: predicted data
- Specific details on test material used for the study:
- - Name of test material: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid
- IUPAC name: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid
- Molecular formula: C17H14N2O8S2
- Molecular weight: 438.4356 g/mole
- Smiles : c1cc(cc(c1)N)C(=O)Nc2ccc(c3c2c(cc(c3)S(=O)(=O)O)O)S(=O)(=O)O
- Inchl: 1S/C17H14N2O8S2/c18-10-3-1-2-9(6-10)17(21)19-13-4-5-15(29(25,26)27)12-7-11(28(22,23)24)8-14(20)16(12)13/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- density
- Density:
- 1.763 g/cm³
- Temp.:
- 20 °C
- Remarks on result:
- other: Estimated value is 1.763 ± 0.06 g/cm3
- Remarks:
- at 760 mmHg
- Conclusions:
- The density of chemical 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid was estimated to be 1.763 ± 0.06 g/cm3 at 20 °C and 760 mmHg pressure.
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene -1,7-disulphonic acid was estimated to be 1.763 ± 0.06 g/cm3 at 20 °C and 760 mmHg pressure.
Reference
Description of key information
The density of chemical 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid was estimated to be 1.763 ± 0.06 g/cm3 at 20 °C and 760 mmHg pressure.
Key value for chemical safety assessment
- Relative density at 20C:
- 1.763
Additional information
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene -1,7-disulphonic acid was estimated to be 1.763 ± 0.06 g/cm3 at 20 °C and 760 mmHg pressure.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
