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10967/75 - QDB Compounds

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Schultz, T.W.; Ralston, K.E.; Roberts, D.W.; Veith, G.D.; Aptula, A.O. Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds. SAR QSAR Environ. Res. 2007, 18, 1-2, 21–29.

27 compounds | Property IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

ID Name IGC50 Details
1 Ethyl iodoacetate 0.0012 View
2 Ethyl acetate NTAS View
3 2-Bromoacetophenone 0.0015 View
4 Acetophenone NTAS View
5 (2-Bromoethyl)benzene NTAS View
6 2-Chloroacetamide 0.92 View
7 Propionamide NTAS View
8 Ethyl bromoacetate 0.0021 View
9 Ethyl chloroacetate 0.088 View
10 Ethyl fluoroacetate NTAS View
11 Propyl bromoacetate 0.0049 View
12 Propyl chloroacetate 0.066 View
13 2-Bromoacetamide 0.03 View
14 Methyl bromoacetate 0.011 View
15 Methyl 3-bromopropionate 0.094 View
16 Methyl 4-bromobutyrate 0.855 View
17 Methyl 5-bromovalerate NTAS View
18 Methyl 2-bromopropionate 0.066 View
19 Methyl 2-bromobutyrate 0.095 View
20 Methyl 2-bromooctanoate NTAS View
21 2-(2-Bromoacetyl)naphthalene 0.0011 View
22 1-(Bromoacetyl)pyrene 0.0041 View
23 3-(Bromoacetyl)coumarin 0.0022 View
24 2-(2-Bromoacetyl)thiophene 0.006 View
25 tert-Butyl bromoacetate 0.0039 View
26 Methyl chloroacetate 0.131 View
27 tert-Butyl chloroacetate 0.136 View

Bibliography

  1. Schultz, T. W.; Ralston, K. E.; Roberts, D. W.; Veith, G. D.; Aptula, A. O. Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds. SAR QSAR Environ. Res. 2007, 18, 21–29. http://dx.doi.org/10.1080/10629360601033424

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079