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10967/17 - QDB Compounds

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Roberts, D.W.; Schultz, T.W.; Wolf, E.M.; Aptula, A.O. Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis. Chem. Res. Toxicol. 2010, 23, 1, 228–234.

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

ID Name IGC50 Ref Details
1 1-bromopentane 0.33 [1] View
2 5-bromo-1-pentene 0.97 [1] View
3 (2-bromoethyl)benzene 0.38 [2] View
4 methyl-5-bromovalerate 1.2 [2] View
5 5-bromovaleric acid 4.93 [1] View
6 3-chloropropionamide 39 [3] View
7 3-chloropropanonitrile 10 [1] View
8 5-bromopentanenitrile 1.6 [1] View
9 1-(bromoethyl)benzene 4.67 [1] View
10 benzyl bromide 0.23 [1] View
11 1-bromo-2-butyne 0.053 [1] View
12 3-iodo-1-propene 0.16 [1] View
13 3-bromo-1-propene 0.27 [1] View
14 3-chloro-1-propene 8.71 [1] View
15 cis-1,4-dichloro-2-butene 0.095 [1] View
16 trans-1,4-dichloro-2-butene 0.17 [1] View
17 trans-1-bromo-2-pentene 0.17 [1] View
18 1-bromomethyl-4-nitrobenzene 0.005 [1] View
19 2-(2-bromoacetyl) thiophene 0.006 [2] View
20 1-bromo-2-butanone 0.0025 [1] View
21 1-bromopinacolone 0.0042 [1] View
22 1-chloropinacolone 0.054 [1] View
23 2-bromoacetophenone 0.0015 [2] View
24 2-(2-bromoacetyl)naphthalene 0.0011 [2] View
25 1-(bromoacetyl)pyrene 0.0041 [2] View
26 ethyl iodoacetate 0.0012 [2] View
27 ethyl bromoacetate 0.0021 [2] View
28 ethyl chloroacetate 0.088 [2] View
29 methyl bromoacetate 0.011 [2] View
30 methyl chloroacetate 0.13 [2] View
31 propyl bromoacetate 0.0049 [2] View
32 propyl chloroacetate 0.066 [2] View
33 tert-butyl bromoacetate 0.0039 [2] View
34 tert-butyl chloroacetate 0.14 [2] View
35 phenyl bromoacetate 0.0084 [1] View
36 3-(bromoacetyl)coumarin 0.0022 [2] View
37 2-iodoacetamide 0.014 [1] View
38 2-bromoacetamide 0.03 [3] View
39 2-chloroacetamide 0.92 [3] View
40 2-bromo-2-nitropropane 0.014 [1] View
41 bromonitromethane (tech) 0.023 [1] View
42 3-bromo-2-butanone 0.014 [1] View
43 3-chloro-2-butanone 0.54 [1] View
44 methyl-2-bromopropionate 0.066 [2] View
45 methyl 2-bromobutyrate 0.095 [2] View
46 ethyl-2-bromopropionate 0.088 [1] View
47 ethyl-2-bromovalerate 0.2 [1] View
48 ethyl-2-bromobutyrate 0.17 [1] View
49 ethyl-2-bromoisobutyrate 0.7 [1] View
50 2-bromopropionamide 0.99 [3] View
51 2-bromobutyric acid 0.75 [1] View
52 2-chlorobutyric acid 2.25 [1] View
53 2-bromoisobutyric acid 3.84 [1] View
54 2-bromovaleric acid 1.1 [1] View
55 diethyl bromomalonate 0.0061 [1] View
56 diethyl dibromomalonate 0.0073 [1] View
57 2-bromopropionitrile 0.24 [1] View
58 iodoacetonitrile 0.0034 [1] View
59 bromoacetonitrile 0.0059 [1] View
60 chloroacetonitrile 0.14 [1] View

Bibliography

  1. Roberts, D. W.; Schultz, T. W.; Wolf, E. M.; Aptula, A. O. Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis. Chem. Res. Toxicol. 2010, 23, 228–234. http://dx.doi.org/10.1021/tx9003648

  2. 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

  3. Schultz, T. W.; Yarbrough, J. W.; Koss, S. K. Identification of reactive toxicants: Structure-activity relationships for amides. Cell Biol. Toxicol. 2006, 22, 339–349. http://dx.doi.org/10.1007/s10565-006-0079-z

  4. 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