Table 1 Chemical ID, test chemical, CAS No. source or supplier of test chemical, purity, and test site
Chemical ID | Test chemical | CAS No. | Source or supplier of test chemical | Purity (%) | Test site |
|---|---|---|---|---|---|
1 | 1-Iodo-4-nitrobenzene | 636–98-6 | Maruzen Chemicals | 99.9 | CERI |
2 | 2-Nitro-5-(1-piperazinyl)benzaldehyde HCl | 13236300a | Otsuka Pharmaceutical | 100 | JISHA |
3 | Methyl 2-methyl-3-nitrobenzoate | 59382–59-1 | Otsuka Pharmaceutical | 99.57 | JISHA |
4 | 2-Nitro-5-(1-piperazinyl)benzaldehyde dimethyl acetal | 101291629a | Otsuka Pharmaceutical | 99.8 | JISHA |
5 | 5-Chloro-2-nitrobenzaldehyde dimethyl acetal | 13796–06-0 | Otsuka Pharmaceutical | 99.97 | JISHA |
6 | 2-Nitro-5-(1-piperazinyl)cinnamic acid | NR | Otsuka Pharmaceutical | 99.8 | JISHA |
7 | 2-Fluoro-4-nitrophenol | 403–19-0 | Tokyo Chemical Industry | 99.6 | BoZo Research Center |
8 | 3-Hydroxy-4-nitrobenzoic acid | 619–14-7 | Eisai | 99.6 | UBE |
9 | Pranidipine; Methyl (2E)-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | 99522–79-9 | Otsuka Pharmaceutical | 99.97 | Otsuka Pharmaceutical |
10 | 4-Amino-2-fluorophenol | 399–96-2 | Tokyo Chemical Industry | 99.4 | BoZo Research Center |
11 | Methyl 3-amino-2-methyl benzoate | 18583–89-6 | Otsuka Pharmaceutical | 94.43 | JISHA |
12 | Sodium 3-[2-amino-5-(1-piperazinyl)phenyl]propionate | 101328646a | Otsuka Pharmaceutical | 99.5 | JISHA |
13 | Methyl 4-amino-2-methoxybenzoate | 27492–84-8 | Tokyo Chemical Industry | 98.9 | BoZo Research Center |
14 | Methyl 3-amino-4,6-dibromo-2-methylbenzoate | 119916–05-1 | Otsuka Pharmaceutical | 98.74 | JISHA |
15 | 4-(2-Methoxy-phenyl)-thiazol-2-ylamine | 93209–95-1 | Shionogi | 99.99 | CMIC Pharma Science |
16 | 4-Hexyl-1,3-thiazol-2-amine | 90770–58-4 | Shionogi | 99.72 | CMIC Pharma Science |
17 | 2-Amino-4-hydroxythiazole | 7146–26-1 | Oakwood Products | 98 | LSI Medience |
18 | Thiazole-2,4-diamine | 67355–26-4 | Oxchem | 98 | LSI Medience |
19 | 6-(2,3-Epoxypropoxy)-2(1H)-quinolinone | 143343–78-6 | Otsuka Pharmaceutical | 94.44 | JISHA |
20 | 6-(4-(3,4-Dimethoxybenzoyl)-2,3-dihydroxypiperazin-1-yl)-3,4-dihydriquinolin-2(1H)-one | NR | Otsuka Pharmaceutical | 98.12 | Otsuka Pharmaceutical |
21 | 8-Hydroxy-2(1H)-quinolinone | 15450–76-7 | Otsuka Pharmaceutical | 99.55 | JISHA |
22 | 3,4-Dimethoxy-N-{2-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)amino]ethyl}benzamide | NR | Otsuka Pharmaceutical | 99.96 | Otsuka Pharmaceutical |
23 | 6-(3-Oxopiperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one | NR | Otsuka Pharmaceutical | 99.56 | Otsuka Pharmaceutical |
24 | 3,4-Dihydro-5-(1-piperazinyl)-2-(1H) quinolinone | 87154–95-8 | Otsuka Pharmaceutical | > 99.9 | JISHA |
25 | 6-(4-(4-Hydroxy-3-methoxybenxoyl)piperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one | NR | Otsuka Pharmaceutical | 99.87 | Otsuka Pharmaceutical |
26 | 6-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-2(1H)-quinolinone | 73963–62-9 | Otsuka Pharmaceutical | 100 | Otsuka Pharmaceutical |
27 | trans-3,4-Dihydro-6-[4-[1-(4-hydroxycyclohexyl)-1H-tetrazol-5-yl]butoxy]-2(1H)-quinolinone | 87153–04-6 | Otsuka Pharmaceutical | 99.93 | Otsuka Pharmaceutical |
28 | Grepafloxacin; (RS)-1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid | 119914–60-2 | Otsuka Pharmaceutical | 99.66 | JISHA |
29 | Grepafloxacin HCl; (RS)-1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid monohydrochloride | 161967–81–3 | Otsuka Pharmaceutical | 99.59 | Otsuka Pharmaceutical |
30 | Ethyl 1-cyclopropyl-7-brorno-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylate | 119916–33-5 | Otsuka Pharmaceutical | 99.88 | JISHA |
31 | 2,4-Bis(trimethylsiloxy)-5-fluoropyrimidine | 17242–85-2 | Otsuka Pharmaceutical | 99.3 | JISHA |
32 | 1,3-Dimethyl-2,4-pyrimidinedione | 874–14-6 | Otsuka Pharmaceutical | 99.6 | JISHA |
33 | 1-(Ethoxymethyl)-5-fluoro-pyrimidine-2,4-dione | 57610–22-7 | Otsuka Pharmaceutical | 99.7 | JISHA |
34 | 3-(1-Ethoxymethyl-5-fluoro-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-3-yl)carbonylbenzoic acid | 129971–17-1 | Otsuka Pharmaceutical | 99 | JISHA |
35 | 3-(3-Benzyloxycarbonylbenzoyl)-1-ethoxymethyl-5-fluoro-2,4-pyrimidinedione | NR | Otsuka Pharmaceutical | 99.8 | JISHA |
36 | 1-Hydroxybenzotriazole hydrate | 123333–53-9 | Otsuka Chemical | 99 | BML |
37 | 3H-[1,2,3]Triazolo[4,5-b]pyridin-3-ol | 39968–33-7 | Tokyo Chemical Industry | 99 | BML |
38 | 1-[Bis (dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate | 148893–10-1 | Sigma-Aldrich | 99 | BML |
39 | Methylcarbamoyl-phenyloxadiazole | 1374817–07-8 | Shionogi | 98.77 | CERI |
40 | 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride n-hydrate | 3945-69-5 | Tokuyama | 84.8 | BML |
41 | N-Phenylbis(trifluoromethanesulfonimide) | 37595–74-7 | Tokyo Chemical Industry | 99.9 | SNBL |
42 | 1,1,1-Trifluoro-N-phenylmethanesulfonamide | 456–64-4 | Tokyo Chemical Industry | 99.9 | SNBL |
43 | Perfluoro-1-butanesulfonyl fluoride | 375–72-4 | Funakoshi | > 90 | BML |
44 | Diisopropyl sulfate | 2973-10-6 | Tokyo Chemical Industry | 97 | BML |
45 | Methyl p-toluenesulfonate | 80–48-8 | Kanto Chemical | 98 | BML |
46 | Ethyl trifluoromethanesulfonate | 425–75-2 | Tokyo Chemical Industry | 99.8 | SNBL |
47 | 2-Nitrobenzenesulfonyl chloride | 1694-92-4 | Mitsubishi Tanabe Pharma | 100.1 | Koei Techno |
48 | p-Toluenesulfonyl chloride | 98–59-9 | Tokyo Chemical Industry | 99 | BML |
49 | 4,6-Dibromo-3-fluoro-2-methylbenzoyl chloride | 11916–28-8 | Otsuka Pharmaceutical | 99.18 | JISHA |
50 | Benzyl 3-chloroformylbenzoate | 67852–96-4 | Otsuka Pharmaceutical | 99.3 | JISHA |
51 | 3-(1-Ethoxymethyl-5-fluoro-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-3-yl)carbonylbenzoyl chloride | 1380098–51-0 | Otsuka Pharmaceutical | 91.1 | JISHA |
52 | 6-(3-Chloro-2-hydroxypropoxy)-2(1H)-quinolinone | 128669–85-8 | Otsuka Pharmaceutical | 95.18 | JISHA |
53 | Chloroacetonitrile | 107–14-2 | Tokyo Chemical Industry | 99.9 | LSI Medience |
54 | 1-Bromohexane | 111–25-1 | Tokyo Chemical Industry | 99.8 | BSRC |
55 | 2-Chloro-N-methoxy-N-methylacetamide | 67442–07-3 | Tokyo Chemical Industry | 99.9 | CMIC Pharma Science |
56 | Ethyl 5-chloro-2-[2-(trifluoromethyl)phenyl]pentanimidate HCl | 1123197–78-3 | Eisai | 97.8 | UBE |
57 | Liothyronine sodium | 55–06-1 | Acros Organics | 95 | Taisho |
58 | (4-Bromo-3,5-dimethoxyphenyl)methanol | 61367–62-2 | Eisai | 100 | UBE |
59 | Ethyl (4,6-dibromo-3-fluoro-2-methylbenzoyl)acetate | 119916–30-2 | Otsuka Pharmaceutical | 98.88 | JISHA |
60 | Catena-m-[2-ethoxycarbonyl-3-(4,6-dibromo-3-fluoro-2-methylphenyl)-3-oxidoacrylato(2-)-O,O′,O″,O″′]magnesium (II) | NR | Otsuka Pharmaceutical | 87.2 | JISHA |
61 | Methyl 4,6-dibromo-3-fluoro-2-methylbenzoate | 119916–08-4 | Otsuka Pharmaceutical | 99.72 | JISHA |
62 | 4,6-Dibromo-3-fluoro-2-methylbenzoic acid | 11916–27-7 | Otsuka Pharmaceutical | 98.79 | JISHA |
63 | Sodium 4,6-dibromo-3-fluoro-2-methylbenzoate | NR | Otsuka Pharmaceutical | 91.79 | JISHA |
64 | Ethyl 2-(4,6-dibromo-3-fluoro-2-methyl benzoyl)-3-cyclopropylaminopropenoate | NR | Otsuka Pharmaceutical | 99.95 | JISHA |
65 | Ethyl 2-(4,6-dibromo-3-fluoro-2-methylbenzoyl)-3-ethoxypropenoate | NR | Otsuka Pharmaceutical | 100 | JISHA |
66 | Cinnamyl 3-aminocrotonate | 113898–97-8 | Otsuka Pharmaceutical | 98.4 | JISHA |
67 | Cinnamyl acetoacetate | 57582–46-4 | Otsuka Pharmaceutical | 99.4 | JISHA |
68 | Benzyl hydrogen isophthalate | 113266–88-9 | Otsuka Pharmaceutical | 100 | JISHA |
69 | Sodium benzyl isophthalate | NR | Otsuka Pharmaceutical | 95.1 | JISHA |
70 | Dibenzyl isophthalate | 16034–14-3 | Otsuka Pharmaceutical | 99 | JISHA |
71 | Diethyl phosphoryl chloride | 814–49-3 | Tokyo Chemical Industry | 99 | BML |
72 | Bis(diphenylphosphino)ferrocene | 12150–46-8 | Hokko Chemical | 99.4 | BML |
73 | Phosphorus (III) bromide | 7789–60-8 | Tokyo Chemical Industry | 98 | BML |
74 | Triethyl phosphonoacetate | 867–13-0 | Tokyo Chemical Industry | 98.4 | BML |
75 | Dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine | 657408–07-6 | Johnson Matthey | 100 | BML |
76 | 2-Dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (XPhos) | 564483–18-7 | Mitsubishi Tanabe Pharma | 99.87 | Koei Techno |
77 | Zinc cyanide | 557–21-1 | Alfa Aesar | 98.9 | BSRC |
78 | 3-Cyano-2,6-dihydroxypyidine monosodium salt | 91467–46-8 | Otsuka Pharmaceutical | 98.3 | JISHA |
79 | 3-Cyano-2,6-dihydroxypyridine | 35441–10-2 | Otsuka Pharmaceutical | 99.8 | JISHA |
80 | 6-Benzoyloxy-3-cyano-2-hydroxypyridine | 103941–70-4 | Otsuka Pharmaceutical | 100 | JISHA |
81 | Ethyl oxoacetate | 924–44-7 | Weylchem | 99.7 | FDSC |
82 | 2-Fluoro-3-hydroxy-5-methoxybenzaldehyde | 883576–31-6 | Eisai | 99.3 | UBE |
83 | 4-Bromobenzaldehyde | 1122-91-4 | Tokyo Chemical Industry | 99.9 | FDSC |
84 | 4-Pentyn-1-ol | 5390-04-5 | Avra Synthesis | 97.85 | LSI Medience |
85 | (tert-Butoxycarbonyl)hydrazide | 870–46-2 | Shanghai Unibest Biopharma | 84.8 | BML |
86 | 4,6-Dibromo-3-methoxycarbonyl-2-methylbenzenediazonium tetrafluoroborate | NR | Otsuka Pharmaceutical | 93.2 | JISHA |
87 | 9-Fluorenylmethyl alcohol | 24324–17-2 | Tokyo Chemical Industry | 99.9 | BSRC |
88 | N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide HCl | 25952–53-8 | Toyobo | 99 | BML |
89 | Benzamidoxime | 613–92-3 | Shionogi | > 98 | Koei Techno |
90 | Carbethoxymethyl-dimethylsulfonium bromide | 5187-82-6 | Apollo Scientific | 96.5b | FDSC |
91 | 3,4-Dihydro-2H-pyran | 110–87-2 | Tokyo Chemical Industry | 99 | BML |
92 | (2S)-2-[(tert-Butoxycarbonyl)amino]hexanedioic acid dimethyl ester | 615258–01-0 | Eisai | 96.9 | UBE |
93 | tert-Butyl 2-acryloylhydrazine-1-carboxylate | 28689–14-7 | Eisai | 99.9 | UBE |
94 | [4-(Hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid | 332394–37-3 | Eisai | 99.9 | UBE |
95 | Triethylsilane | 617–86-7 | Tokyo Chemical Industry | > 98 | BML |
96 | 1,3-Butanediol | 107–88-0 | Daicel | 99.8 | Nihon Bioresearch |
97 | Ammonium acetate | 631–61-8 | Wako Pure Chemical Industries | 100 | CERI |
98 | p-Toluenesulfinic acid sodium salt | 7257-26-3 | Tokyo Chemical Industry | 99.7 | BML |
99 | 2,2,6,6-Tetramethylpiperidine 1-oxyl (free radical) | 2564-83-2 | Tokyo Chemical Industry | 99.7 | SNBL |