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Boiling point

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Reference
Endpoint:
boiling 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: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs.
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material : 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs.
- Molecular formula : C17H18ClN7O9S2
- Molecular weight : 563.954 g/mol
- Smiles notation : N1(c2ccc(cc2)S(=O)(=O)O)N=C(C(O)=O)[C@@H](\N=N\c2ccc(cc2)S(=O)(=O)O)C1=O.C(=N)(N)N.Cl
- InChl : 1S/C16H12N4O9S2.CH5N3.ClH/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;2-1(3)4;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);(H5,2,3,4);1H/b18-17+;;
- Substance type : Organic
- Physical state : Solid
Key result
Boiling pt.:
462 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of  1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. was  estimated to be 462˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs was predicted.

The boiling point of 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. was estimated to be 462˚C.

Description of key information

Based on prediction done using MPBPVP v1.43,the Boiling point of  1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. was  estimated to be 462˚C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
462 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs was predicted.

The boiling point of 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5 -oxo-1 -(4 -sulfophenyl)-4 -[(4 -sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. was estimated to be 462˚C.