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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

Materials and methods

Test guideline
Guideline:
other: calculation
GLP compliance:
no
Type of method:
other: calculation and read across

Test material

Constituent 1
Chemical structure
Reference substance name:
2-nitro-p-xylene
EC Number:
201-920-7
EC Name:
2-nitro-p-xylene
Cas Number:
89-58-7
Molecular formula:
C8H9NO2
IUPAC Name:
1,4-dimethyl-2-nitrobenzene

Results and discussion

Water solubility
Water solubility:
ca. 100 mg/L
Temp.:
25 °C
Remarks on result:
other: pH diregarded

Any other information on results incl. tables

The calculation was performed with EPI Suite 4.10. The result is reliable, because it is supported by experimental results of structural isomers, such as 1,3 -dimethyl-4 -nitrobenzene.

Applicant's summary and conclusion