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Physical & Chemical properties

Melting point / freezing point

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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 2-aminotoluene-4-sulphonic acid
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material: 2-aminotoluene-4-sulphonic acid
- IUPAC name: 2-aminotoluene-4-sulphonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mole
- Smiles :O=S(=O)(O)c1ccc(c(N)c1)C
- Inchl: 1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid powder (white to pinkish white)
Key result
Melting / freezing pt.:
139.17 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 2-aminotoluene-4-sulphonic acid was estimated to be 139.17 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 2-aminotoluene-4-sulphonic acid was predicted.

The melting point of chemical 2-aminotoluene-4-sulphonic acid was estimated to be 139.17 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the melting point of chemical 2-aminotoluene-4-sulphonic acid was estimated to be 139.17 ˚C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
139.17 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 2-aminotoluene-4-sulphonic acid was predicted.

The melting point of chemical 2-aminotoluene-4-sulphonic acid was estimated to be 139.17 ˚C.