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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
US EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA.
Recommended by ECHA.

2. MODEL (incl. version number)
EpiSuite v4.11 - MPBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : c12c(c(ccc1Br)Br)cccc2
CHEM :
MOL FOR: C10 H6 Br2
MOL WT : 285.97

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
5. APPLICABILITY DOMAIN
6. ADEQUACY OF THE RESULT

Justification is attached in 'Attached justification below".

Data source

Reference
Reference Type:
other: QSAR summary
Title:
Epi Summary - 1,4-Dibromonaphtalene
Author:
Epi Suite
Year:
2018
Bibliographic source:
Epi Suite

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:

- Software tool(s) used including version:
Epi Suite V4.11
- Model(s) used:
MPBPVP v1.43
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1,4-dibromonaphthalene
EC Number:
201-484-8
EC Name:
1,4-dibromonaphthalene
Cas Number:
83-53-4
Molecular formula:
C10H6Br2
IUPAC Name:
1,4-dibromonaphthalene

Results and discussion

Boiling point
Key result
Boiling pt.:
316.45 °C
Atm. press.:
1 atm

Applicant's summary and conclusion