Substance Identity
CAS Number 16889-10-4
Chemical Name Benzonitrile, 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro-
Type of substance Organic
SMILES C(#N)c(c(N=Nc(ccc(N(CCC(#N))CC)c1)c1)ccc2N(=O)(=O))c2
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? Yes
Rational for P Category
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1T to 1000T

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
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.1568

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.24
Log BAF T2MTL predicted by Gobas 3.16346380834976
Log BCF 5% T2LTL predicted by Gobas 2.94281854644702
Log BCF Max predicted by OASIS 3.55199678270301
Log BCF predicted by BCFWIN 1

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 2.025
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2.025
Toxicity to fish (LC50 in mg/l) as predicted by Aster 13.460786
Toxicity to fish (LC50 in mg/l) as predicted by PNN 14.4211
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.118
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.346
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.03E-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