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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 TOXCAST PHASE II excel file 
CASEINECSJRC CODEChemical NameSMILES
100-37-8202-845-2-2-DiethylaminoethanolCCN(CC)CCO
10049-04-4233-162-8JRC-001015Chlorine Dioxide[O]Cl=O |^1:0|
101-20-2202-924-1-TriclocarbanClc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
101-68-8202-966-0-4,4'-Methylenediphenyl DiisocyanateO=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1
103361-09-7600-425-7-1h-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
105-60-2203-313-2-Epsilon-CaprolactamO=C1CCCCCN1
107-92-6203-532-3-Butyric AcidCCCC(=O)O
111-27-3203-852-3-Hexan-1-OlCCCCCCO
112-34-5203-961-6JRC-000110Ethanol, 2-(2-Butoxyethoxy)-CCCCOCCOCCO
115-96-8204-118-5-Tris(2-Chloroethyl) PhosphateClCCOP(=O)(OCCCl)OCCCl
116-06-3204-123-2-AldicarbCNC(=O)O\N=C\C(C)(C)SC
117-81-7204-211-0JRC-000177Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
10026-24-1600-050-9JRC-001016Cobalt(Ii) Sulfate (1:1), HeptahydrateO.O.O.O.O.O.O.[Co].[O]S([O])(=O)=O |^1:8,10|
101-14-4202-918-9JRC-0007774,4'-Methylenebis[2-Chloroaniline]Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
10108-64-2233-296-7JRC-000066Cadmium Chloride[Cd](Cl)Cl
103-33-3203-102-5JRC-000685Azobenzenec1ccc(cc1)N=Nc2ccccc2
106-44-5203-398-6-Phenol, 4-Methyl-Cc1ccc(O)cc1
106-87-6203-437-7-7-Oxa-3-Oxiranylbicyclo[4.1.0]HeptaneC1CC2OC2CC1C3CO3
106-92-3203-442-4JRC-000738Allyl 2,3-Epoxypropyl EtherC=CCOCC1CO1
106-99-0203-450-8JRC-000741Buta-1,3-DieneC=CC=C
10605-21-7234-232-0JRC-000352Carbamic Acid, N-1h-Benzimidazol-2-Yl-, Methyl EsterCOC(=O)Nc1nc2ccccc2[nH]1
107-13-1203-466-5JRC-000710AcrylonitrileC=CC#N
107-18-6203-470-7JRC-000540Allyl AlcoholOCC=C
108-05-4203-545-4-Acetic Acid Ethenyl EsterCC(=O)OC=C
110-01-0203-728-9-TetrahydrothiopheneC1CCSC1
1119-40-0214-277-2-Dimethyl GlutarateCOC(=O)CCCC(=O)OC
119-90-4204-355-4JRC-0006753,3'-DimethoxybenzidineCOc1cc(ccc1N)c2ccc(N)c(OC)c2
119-93-7204-358-0JRC-0006744,4'-Bi-O-ToluidineCc1cc(ccc1N)c2ccc(N)c(C)c2
100-41-4202-849-4-EthylbenzeneCCc1ccccc1
101-90-6202-987-5JRC-000764M-Bis(2,3-Epoxypropoxy)BenzeneC(Oc1cccc(OCC2CO2)c1)C3CO3
105-87-3203-341-5-Geranyl AcetateCC(=CCC\C(=C\COC(=O)C)\C)C
106325-08-0600-739-4-EpoxiconazoleFc1ccc(cc1)C2(Cn3cncn3)OC2c4ccccc4Cl
108-94-1203-631-1JRC-000497CyclohexanoneO=C1CCCCC1
109-99-9203-726-8-TetrahydrofuranC1CCOC1
1095-90-5214-140-7JRC-000050Methadone HydrochlorideCl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
111-15-9203-839-2-2-Ethoxyethyl AcetateCCOCCOC(=O)C
118-92-3204-287-5-Anthranilic AcidNc1ccccc1C(=O)O
119-61-9204-337-6-Methanone, Diphenyl-O=C(c1ccccc1)c2ccccc2
10028-15-6233-069-2JRC-001001Ozone[O-][O+]=O
10043-35-3233-139-2JRC-000238Boric AcidOB(O)O
101-77-9202-974-4JRC-0007754,4'-MethylenedianilineNc1ccc(Cc2ccc(N)cc2)cc1
102-76-1203-051-9JRC-0001551,2,3-Propanetriol, 1,2,3-TriacetateCC(=O)OCC(COC(C)=O)OC(C)=O
103-85-5203-151-2JRC-000249Phenyl-2-ThioureaNC(=S)Nc1ccccc1
10377-48-7233-820-4JRC-000020Sulfuric Acid, Lithium Salt (1:2)[O-]S([O-])(=O)=O.[Li+].[Li+]
1069-66-5213-961-8JRC-000017Pentanoic Acid, 2-Propyl-, Sodium Salt (1:1)C(CCC)(CCC)C(=O)[O-].[Na+]
108-95-2203-632-7JRC-000080PhenolOc(cccc1)c1
109-69-3203-696-6-1-ChlorobutaneCCCCCl
112-53-8203-982-0-Dodecan-1-OlCCCCCCCCCCCCO
115-07-1204-062-1JRC-000664PropeneCC=C
115-28-6204-078-9-1,4,5,6,7,7-Hexachloro-8,9,10-Trinorborn-5-Ene-2,3-Dicarboxylic AcidOC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl
116355-83-0--Fumonisin B1CCCC[C@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O
119-53-9204-331-3-BenzoinOC(C(=O)c1ccccc1)c2ccccc2
120-83-2204-429-6JRC-000533Phenol, 2,4-Dichloro-Oc1ccc(Cl)cc1Cl
100-01-6202-810-1JRC-0007034-NitroanilineNc1ccc(cc1)[N+](=O)[O-]
100-42-5202-851-5-Benzene, Ethenyl-C=Cc1ccccc1
100-52-7202-860-4JRC-000157BenzaldehydeO=Cc1ccccc1
103-11-7203-080-7JRC-0001562-Propenoic Acid, 2-Ethylhexyl EsterCCCCC(CC)COC(=O)C=C
107-06-2203-458-1JRC-0004961,2-DichloroethaneClCCCl
107534-96-3600-834-0-1h-1,2,4-Triazole-1-Ethanol, ¿-[2-(4-Chlorophenyl)Ethyl]-¿-(1,1-Dimethylethyl)-CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
108-03-2203-544-9-1-NitropropaneCCC[N+](=O)[O-]
108-39-4203-577-9-M-CresolCc1cccc(O)c1
108-46-3203-585-2JRC-0001311,3-BenzenediolOc1cccc(O)c1
108-88-3203-625-9-TolueneCc1ccccc1
108-93-0203-630-6-CyclohexanolOC1CCCCC1
110-12-3203-737-8-5-Methylhexan-2-OneCC(C)CCC(=O)C
112-07-2203-933-3JRC-000139Ethanol, 2-Butoxy-, 1-AcetateCCCCOCCOC(C)=O
115-29-7204-079-4JRC-000244EndosulphanClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl |c:1|
118-96-7204-289-6-2,4,6-TrinitrotolueneCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
120-40-1204-393-1-N,N-Bis(2-Hydroxyethyl)DodecanamideCCCCCCCCCCCC(=O)N(CCO)CCO
120-80-9204-427-5-PyrocatecholOc1ccccc1O
101-61-1202-959-2JRC-000774N,N,N',N'-Tetramethyl-4,4'-MethylenedianilineCN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1
104-76-7203-234-3-2-Ethylhexan-1-OlCCCCC(CC)CO
106-46-7203-400-5JRC-0004621,4-DichlorobenzeneClc1ccc(Cl)cc1
107-21-1203-473-3JRC-0000791,2-EthanediolOCCO
112-05-0203-931-2-Nonanoic AcidCCCCCCCCC(O)=O
100-00-5202-809-6JRC-0007051-Chloro-4-Nitrobenzene[O-][N+](=O)c1ccc(Cl)cc1
100-44-7202-853-6JRC-000706Alpha-ChlorotolueneClCc1ccccc1
10262-69-8233-599-4JRC-000031MaprotilineCNCCCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1
103-90-2203-157-5JRC-0000024-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
106-47-8203-401-0JRC-000742Benzenamine, 4-Chloro-Nc1ccc(Cl)cc1
108-91-8203-629-0-CyclohexylamineNC1CCCCC1
109-86-4203-713-7-Ethanol, 2-Methoxy-COCCO
110-86-1203-809-9-Pyridinec1ccncc1
111-46-6203-872-2JRC-000055Diethylene Glycol (8ci)OCCOCCO
116-16-5204-129-5-HexachloroacetoneClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
118-74-1204-273-9JRC-000062HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
120-12-7204-371-1-Anthracenec1ccc2cc3ccccc3cc2c1
100-51-6202-859-9-Benzyl AlcoholOCc1ccccc1
101-96-2202-992-2-N,N'-Di-Sec-Butyl-P-PhenylenediamineCCC(C)Nc1ccc(NC(C)CC)cc1
102-06-7203-002-1-1,3-DiphenylguanidineN=C(Nc1ccccc1)Nc2ccccc2
106-49-0203-403-1-P-ToluidineCc1ccc(N)cc1
107-02-8203-453-4JRC-0000432-PropenalC=CC=O
107-30-2203-480-1-Chloromethyl Methyl EtherCOCCl
108-11-2203-551-7-4-Methylpentan-2-OlCC(C)CC(C)O
108-31-6203-571-6-Maleic AnhydrideO=C1OC(=O)C=C1
110-82-7203-806-2-CyclohexaneC1CCCCC1
111-42-2203-868-0-2,2'-IminodiethanolOCCNCCO
111-55-7203-881-1-Ethylene Di(Acetate)CC(=O)OCCOC(=O)C
111-94-4203-922-3-3,3'-IminodipropiononitrileN#CCCNCCC#N
120-78-5204-424-9-Di(Benzothiazol-2-Yl) DisulphideS(Sc1nc2ccccc2s1)c3nc4ccccc4s3

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