Registration Dossier
Registration Dossier
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EC number: 306-832-3 | CAS number: 97416-84-7
Melting point / freezing point
Administrative data
Link to relevant study record(s)
Description of key information
100 - 110 °C
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 100 °C
Additional information
The melting point value of the AP 1300 S used for the assessment has been calculated from the available data for the substance itself and for the Similar Substance 01 (CAS 21850-44-2);
The Similar Substance 01 shares with AP 1300 S the same structure, except for the fact that Similar Substance 01 presents two dibromobutane functional groups linked to the dibromophenol core, instead the dibromo-methylbutane as in the case of AP 1300 S. The justification for the Read Across approach has been detailed in the document attached to the IUCLID Section 13.
Data on AP 1300 S:
Melting Point = ca. 287.75 °C
estimated by means of MPBWIN v1.43 (September 2010), using the SMILE notation CC(C)(c1cc(Br)c(OCC(C)(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(C)(Br)CBr)c(Br)c1
Data on Similar Substance 01
Melting Point = ca 281.21 °C
estimated by means of MPBWIN v1.43 (September 2010), using the SMILE notation Brc1cc(cc(Br)c1OCC(Br)CBr)C(C)(C)c2cc(Br)c(OCC(Br)CBr)c(Br)c2
Melting Point = 90 – 100 °C
As cited in the World Health Organization (WHO, Geneva, 1995); Dr. G.J. van Esch “Tetrabromobisphenol A and Derivatived” (Environmental health criteria ; 172)
Considering the estimation by calculation on AP 1300 S, the estimation by calculation on Similar Substance 01 and the experimental data on the Similar Substance 01, the melting point is expected to bein a range of temperature between 100 and 110 °C.
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