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EC number: 210-540-0 | CAS number: 618-03-1
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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.
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