Registration Dossier

Diss Factsheets

Physical & Chemical properties

Density

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
density, other
Remarks:
Density
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:
Estimated data from ACD/Labs
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 5-methyl-3-phenylisoxazole-4-carbonyl chloride and estimated data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data from ACD/Labs
Specific details on test material used for the study:
- Name of test material : 5-methyl-3-phenylisoxazole-4-carbonyl chloride
- Molecular formula : C11H8ClNO2
- Molecular weight : 221.642 g/mol
- Smiles notation : c1(ccccc1)c1c(C(=O)Cl)c(on1)C
- InChl : 1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3
- Substance type: Organic
- Physical state: Solid
Key result
Type:
density
Density:
1.278 g/cm³
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.278

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.