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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
data is from experimental reports
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-methyl-4-nitroaniline
- Molecular formula: C7H8N2O2
- Molecular weight: 152.152 g/mol
- Smiles notation: c1(cc(c(N)cc1)C)[N+](=O)[O-]
- InChI: 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
202.17 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: no additional details mentioned

Sample stirring time (hours)

Concentration obtained on the basis of standard curve (mg/l)

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

10.1773

20

203.546

72

10.0397

20

200.794

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:

Mean water solubility value for 48 hour run sample + 72 hour run sample

=(203.546+200.794)/2

=202.17 mg/L

Conclusions:
The water solubility determination of test item 4-nitro-o-toluidine [CAS No.99-52-5] was doneby spectrophotometric method. The water solubility was determined to be 202.17 mg/L at 30°C.
Executive summary:

The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-nitro-o-toluidine (CAS:99-52-5 ) in water was determined to be 202.17 mg/L at 30°C.

Description of key information

The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-nitro-o-toluidine (CAS:99-52-5 ) in water was determined to be 202.17 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
202.17 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-nitro-o-toluidine (CAS:99-52-5 ) in water was determined to be 202.17 mg/L at 30°C.

Data from authoritative database suggests that the experimental water solubility of 2-methyl-4-nitroaniline at 20°C was 140 mg/L.

These values indicate that 2-methyl-4-nitroaniline is moderately soluble in water.