Registration Dossier
Registration Dossier
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EC number: 601-017-1 | CAS number: 110964-79-9
Endpoint summary
Administrative data
Description of key information
Additional information
4-(methylsulfonyl)-2-nitrobenzoic acid is a white to yellow solid (visual finding) with a melting point at 212-213°C (Hydrazine derivatives. I. Benzalthio- and bisbenzaldithiosalicoylhydrazides. K. Leon et al. Journal of Organic Chemistry (1953), 18 1380-1402)
The following properties were calculated using Advanced Chemistry Development (ACD/Labs) Software V8.14 for Solaris:
Boiling point: 497.8±45°C at 760 Torr
Density: 1.576±0.06 g/cm3at 20°C
Flash point: 254.9±28.7°C
LogPow= log Kow= 0.602±0.413 at 25°C (Soluble in water)
pKa: 1.51±0.25 at 25°C
Vapour pressure: 9.97E-11 Torr at 25°C
4-(methylsulfonyl)-2-nitrobenzoic acid is an acid and the considerable acid properties is consistent with the calculated pKa value at 1.5. This gives the basis for the classification with DSD – DPD: Xi;R36/38 and CLP: skin and eye irritation cat. 2.
The calculated log Kowvalue at 0.6 for 4-(methylsulfonyl)-2-nitrobenzoic acid indicates that the substance is not expected to be harmful in the environment. This is in line with the ecotoxicological test (IUCLID Point 6.1.1; 6.1.3 and 6.1.5).
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