Substance Identity
CAS Number 50594-66-6
Chemical Name Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-
Type of substance Organic
SMILES O=C(O)c(c(N(=O)(=O))ccc1Oc(c(cc(c2)C(F)(F)F)Cl)c2)c1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? Yes
Persistent (P)? Yes
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T
Basis for Environment Categorization (PiT, BiT, PBiT) if categorized? PiT

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 182
MITI probability of biodegradation 0
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 12.35

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.7
Log Kow predicted by KowWin 4.17
Log BAF T2MTL predicted by Gobas 2.54123449948709
Log BCF 5% T2LTL predicted by Gobas 2.40765970170208
Log BCF Max predicted by OASIS 3.49292484643981
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.1111
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 0.1111
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 24.463
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2.64405
Toxicity to fish (LC50 in mg/l) as predicted by PNN 1.60438
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1.499
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 4.036
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.45E-002

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Lowest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment