2-nitrotoluene

Melting point / freezing point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Data from handbook or collection of data

Principles of method if other than guideline:

secondary peer reviewed source, valid collection of data

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): o-Nitrotoluene
- Analytical purity: not specified

Melting / freezing pt.:

-9.55 °C

Remarks on result:

other: alpha-form

Melting / freezing pt.:

-3.85 °C

Remarks on result:

other: beta-form (stable form)

Executive summary:

Kirk-Othmer, 2005

The melting point of 2-nitrotoluene was reported as -9.55 °C (alpha-form) and -3.85 (beta-form, stable form).

Reference 2

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Data from handbook or collection of data

Justification for type of information:

Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

secondary peer reviewed source, valid collection of data

GLP compliance:

not specified

Specific details on test material used for the study:

- Analytical purity: not specified

Melting / freezing pt.:

-3.17 °C

Remarks on result:

other: beta-form

Melting / freezing pt.:

-9.27 °C

Remarks on result:

other: alpha-form

Executive summary:

Ullmann/Roempp, 2005/2009

The melting point of 2-nitrotoluene was reported as -9.27 °C (alpha-form) and -3.17 °C (beta-form).

Reference 3

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.

Principles of method if other than guideline:

secondary peer reviewed source, valid collection of data

GLP compliance:

not specified

Specific details on test material used for the study:

- Analytical purity: not specified

Melting / freezing pt.:

-9.3 °C

Executive summary:

The Merck Index, 2006

The melting point of 2-nitrotoluene was reported as -9.3 °C.

Description of key information

The melting point of 2-nitrotoluene was determined in a series of experimental studies to be in the range of -9.27 °C to -9.55 °C (alpha-form) and -3.17 °C to -3.85 (beta-form).

The individual study reports (data from handbooks or collection of data) show some deficiencies with respect to the comprehensiveness of the experimental details. Therefore, a reliability of 1 or 2 and thus adequacy as key study was not assignable for any of the individual studies. Consequently, the studies were assigned a Klimisch score of 4 (according to guidance document R.4, ‘not assignable: studies or data […] which are only listed in short abstracts or secondary literature (books, reviews, etc.)). As the individual studies report values are in a similar range, collectively, these studies can be used to conclude on this endpoint and to satisfy the information requirement.

The Merck Index, 2006: The melting point of 2-nitrotoluene was reported as -9.3 °C.

Ullmann/Roempp, 2005/2009: The melting point of 2-nitrotoluene was reported as -9.27 °C (alpha-form) and -3.17 °C (beta-form).

Kirk-Othmer, 2005: The melting point of 2-nitrotoluene was reported as -9.55 °C (alpha-form) and -3.85 (beta-form, stable form).

In all of these study reports, no information on the corresponding atmospheric pressure is reported.

The melting point of the stable beta-form according to Kirk-Othmer, 2005 was chosen as key-value for chemical saftey assessment.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-3.85 °C