Registration Dossier

Physical & Chemical properties

Melting point / freezing point

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
melting point/freezing point
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:
Data is from modelling database developed by USEPA
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Melting point of chemical 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid.
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
Name of the test chemical: 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
Molecular formula: C16H13NO7S2
Molecular weight: 395.4107 g/mol
Smiles Notation: c1cc(cc(c1)S(=O)(=O)O)Nc2ccc3cc(cc(c3c2)O)S(=O)(=O)O
InChI: 1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
Substance Type: Organic
Physical State: Solid
Key result
Melting / freezing pt.:
290.35 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was estimated to be 290.35 ˚C
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical -hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was predicted.

The melting point of chemical -hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was estimated to be 290.35 ˚C

Description of key information

Based on prediction done using MPBPVP v1.43, the melting point of chemical 4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was  estimated to be 290.35 ˚C

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
290.35 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical -hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was predicted.

The melting point of chemical -hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid was estimated to be 290.35 ˚C