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TOXCAST PHASE II: US EPA ToxCast list - phase II The US EPA's ToxCast program aims to address concerns over animal use and the thousands of environmental chemicals lacking toxicity data by screening and prioritizing chemicals for potential human toxicity using in vitro assays and in silico approaches. During Phase II, 700 additional chemicals are being screened, including drugs, green chemicals, and chemicals in consumer products. 1 (535 chemicals) download  excel file 
CASEINECSChemical NameSMILES
100-41-4 202-849-4EthylbenzeneCCc1ccccc1
100-51-6 202-859-9Benzyl AlcoholOCc1ccccc1
10026-24-1 600-050-9Cobalt(Ii) Sulfate (1:1), HeptahydrateO.O.O.O.O.O.O.[Co+2].OS(=O)(=O)O
10108-64-2 233-296-7Cadmium Chloride[Cd](Cl)Cl
103-33-3 203-102-5Azobenzenec1ccc(cc1)N=Nc2ccccc2
103361-09-7 600-425-71h-Isoindole-1,3(2h)-Dione, 2-[7-Fluoro-3,4-Dihydro-3-Oxo-4-(2-Propyn-1-Yl)-2h-1,4-Benzoxazin-6-Yl]-4,5,6,7-Tetrahydro-Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O
10377-48-7 233-820-4Sulfuric Acid, Lithium Salt (1:2)[O-]S([O-])(=O)=O.[Li+].[Li+]
105-60-2 203-313-2ε-caprolactamO=C1CCCCCN1
105-87-3 203-341-5Geranyl AcetateCC(=CCC\C(=C\COC(=O)C)\C)C
106-46-7 203-400-51,4-DichlorobenzeneClc1ccc(Cl)cc1
106-99-0 203-450-8Buta-1,3-DieneC=CC=C
107-02-8 203-453-42-PropenalC=CC=O
107-18-6 203-470-7Allyl AlcoholOCC=C
107-30-2 203-480-1Chloromethyl Methyl EtherCOCCl
107-92-6 203-532-3Butyric AcidCCCC(=O)O
107534-96-3 600-834-01h-1,2,4-Triazole-1-Ethanol, -[2-(4-Chlorophenyl)Ethyl]--(1,1-Dimethylethyl)-CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
108-88-3 203-625-9TolueneCc1ccccc1
112-07-2 203-933-3Ethanol, 2-Butoxy-, 1-AcetateCCCCOCCOC(C)=O
112-34-5 203-961-6Ethanol, 2-(2-Butoxyethoxy)-CCCCOCCOCCO
115-07-1 204-062-1PropeneCC=C
116-16-5 204-129-5HexachloroacetoneClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
119-61-9 204-337-6Methanone, Diphenyl-O=C(c1ccccc1)c2ccccc2
119-93-7 204-358-04,4'-Bi-O-ToluidineCc1cc(ccc1N)c2ccc(N)c(C)c2
120-12-7 204-371-1Anthracenec1ccc2cc3ccccc3cc2c1
121-14-2 204-450-02,4-DinitrotolueneCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
121-91-5 204-506-4Isophthalic AcidOC(=O)c1cccc(c1)C(=O)O
123-31-9 204-617-8HydroquinoneOc1ccc(O)cc1
123-91-1 204-661-81,4-DioxaneC1COCCO1
126-72-7 204-799-9Tris(2,3-Dibromopropyl) PhosphateBrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
12674-11-2 Aroclor 1016Clc1cc(cc(Cl)c1)c2cccc(Cl)c2
128-37-0 204-881-42,6-Di-Tert-Butyl-P-CresolCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
131-11-3 205-011-61,2-Benzenedicarboxylic Acid, 1,2-Dimethyl EsterCOC(=O)c1ccccc1C(=O)OC
1330-20-7 215-535-7Benzene, Dimethyl-c1(ccccc1)C.C*
134-62-3 205-149-7N,N-Diethyl-3-methylbenzamideCCN(CC)C(=O)c1cccc(C)c1
13494-80-9 236-813-4Tellurium[Te]
13674-84-5 237-158-7Tris(2-Chloro-1-Methylethyl) PhosphateCC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
139-13-9 205-355-7Nitrilotriacetic AcidOC(=O)CN(CC(=O)O)CC(=O)O
140-88-5 205-438-8Ethyl AcrylateCCOC(=O)C=C
17831-71-9 241-789-3Oxybis(2,1-Ethanediyloxy-2,1-Ethanediyl)DiacrylateC=CC(=O)OCCOCCOCCOCCOC(=O)C=C
205-99-2 205-911-9Benzo[E]Acephenanthrylenec1ccc2c(c1)c3cccc4c5ccccc5cc2c34
20830-75-5 244-068-1DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
218-01-9 205-923-4Chrysenec1ccc2c(c1)ccc3c4ccccc4ccc23
25812-30-0 247-280-2GemfibrozilCc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
2767-54-6 220-443-5Triethyltin BromideCC[Sn](Br)(CC)CC
2832-40-8 220-600-8N-[4-[(2-Hydroxy-5-Methylphenyl)Azo]Phenyl]AcetamideCC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O
301-04-2 206-104-4Lead Di(Acetate)[Pb].CC([O])=O.CC([O])=O |^1:3,7|
302-17-0 206-117-5Chloral Hydrate OC(O)C(Cl)(Cl)Cl
329-89-5 206-349-76-AminonicotinamideNC(=O)c1ccc(N)nc1
3296-90-0 221-967-72,2-Bis(Bromomethyl)Propane-1,3-DiolOCC(CO)(CBr)CBr
330-54-1 206-354-4DiuronCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
3380-34-5 222-182-2IrgasanOc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
50-32-8 200-028-5Benzo[Def]Chrysenec1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
50-35-1 200-031-1ThalidomideO=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
51-63-8 200-111-6Dexamphetamine SulphateS(=O)(=O)(O)O.c1(C[C@@H](N)C)ccccc1.c1(C[C@@H](N)C)ccccc1
554-13-2 209-062-5Lithium CarbonateC(=O)([O-])[O-].[Li+].[Li+]
56-35-9 200-268-0Bis(Tributyltin) OxideCCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC
56-81-5 200-289-5GlycerolOCC(O)CO
58-08-2 200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-55-9 200-385-7Theophyllinec12c(n(c(=O)n(c1=O)C)C)nc[nH]2
58-90-2 200-402-82,3,4,6-TetrachlorophenolOc1c(Cl)cc(Cl)c(Cl)c1Cl
5957-27-7 DronabinolCCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
60-33-3 200-470-9Linoleic AcidCCCCC\C=C/C\C=C/CCCCCCCC(O)=O
614-39-1 210-381-7Procainamide HydrochlorideCl.CCN(CC)CCNC(=O)C1=CC=C(N)C=C1
62-73-7 200-547-7DichlorvosCOP(=O)(OC)OC=C(Cl)Cl
62-76-0 200-550-3Ethanedioic Acid, Sodium Salt (1:2)C(=O)(C(=O)[O-])[O-].[Na+].[Na+]
67-63-0 200-661-72-PropanolOC(C)C
68411-30-3 270-115-0Benzenesulfonic Acid, C10-13-Alkyl Derivs., Sodium Salts[Na+].CCCCCCCCCCCc1ccc(cc1)S([O-])(=O)=O
68955-53-3 273-279-1Amines, C12-14-Tert-AlkylCC(C)(C)CCCCCCCCCN
71-55-6 200-756-31,1,1-TrichloroethaneCC(Cl)(Cl)Cl
7439-92-1 231-100-4Lead[PbH4]
7439-98-7 231-107-2Molybdenum[Mo]
7440-41-7 231-150-7Beryllium[Be]
7440-48-4 231-158-0Cobalt[Co]=[Co]
75-09-2 200-838-9DichloromethaneClCCl
75-25-2 200-854-6BromoformBrC(Br)Br
75-91-2 200-915-7Tert-Butyl HydroperoxideCC(C)(C)OO
7553-56-2 231-442-4IodineII
76-44-8 200-962-3HeptachlorClC1C=CC2C1C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl
77-09-8 201-004-7PhenolphthaleinOc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
77-21-4 201-012-0GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
77-47-4 201-029-3HexachlorocyclopentadieneClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl
77-73-6 201-052-93a,4,7,7a-Tetrahydro-4,7-MethanoindeneC1C=C[C@@H]2[C@H]3C[C@@H](C=C3)[C@H]12
77-78-1 201-058-1Dimethyl SulphateCOS(=O)(=O)OC
77-92-9 201-069-1Citric AcidO=C(O)C(O)(CC(=O)O)CC(=O)O
78-59-1 201-126-03,5,5-Trimethylcyclohex-2-EnoneCC1=CC(=O)CC(C)(C)C1
79-43-6 201-207-0Dichloroacetic AcidOC(=O)C(Cl)Cl
793-24-8 212-344-0N-1,3-Dimethylbutyl-N'-Phenyl-P-PhenylenediamineCC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
80-05-7 201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
85-01-8 201-581-5Phenanthrenec1ccc2c(c1)ccc3ccccc23
85-68-7 201-622-7Benzyl Butyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1
87-62-7 201-758-72,6-XylidineCc1cccc(C)c1N
88-12-0 201-800-41-Vinyl-2-PyrrolidoneC=CN1CCCC1=O
90-94-8 202-027-54,4'-Bis(Dimethylamino)BenzophenoneCN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C
91-66-7 202-088-8N,N-DiethylanilineCCN(CC)c1ccccc1
92-70-6 202-180-83-Hydroxy-2-Naphthoic AcidOC(=O)c1cc2ccccc2cc1O
92-93-3 202-204-74-Nitrobiphenyl[O-][N+](=O)c1ccc(cc1)c2ccccc2
93-58-3 202-259-7Methyl BenzoateCOC(=O)c1ccccc1
94-75-7 202-361-12,4-Dc1(c(cc(Cl)cc1)Cl)OCC(O)=O
95-48-7 202-423-8O-CresolCc1ccccc1O
96-29-7 202-496-6Butanone OximeCC\C(=N\O)\C
97-88-1 202-615-1Butyl MethacrylateCCCCOC(=O)C(=C)C
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