Benzene and substituted derivatives
2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 254993-59-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD02684337 InChI Key: JKSUCAFAUNSPLO-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid PubChem CID: 2783251 IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F
4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
Thermo Scientific Chemicals Flutamide
CAS: 13311-84-7 Molecular Formula: C11H11F3N2O3 Molecular Weight (g/mol): 276.22 MDL Number: MFCD00072009 InChI Key: MKXKFYHWDHIYRV-UHFFFAOYSA-N IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide SMILES: CC(C)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
4'-Nitroacetanilide, 99%
CAS: 104-04-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00007303 InChI Key: NQRLPDFELNCFHW-UHFFFAOYSA-N Synonym: 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline PubChem CID: 7691 IUPAC Name: N-(4-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
2-Ethylbenzaldehyde, 97%
CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O
4-Iodobenzonitrile, 99%, Thermo Scientific Chemicals
CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N
Ethyl benzoylformate, 95%
CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1
N-(4-Vinylbenzyl)-N,N-dimethylamine, 90%, technical, stabilized
CAS: 2245-52-5 Molecular Formula: C11H16N Molecular Weight (g/mol): 162.26 MDL Number: MFCD00078270 InChI Key: XQBHAZDVLGNSOJ-UHFFFAOYSA-O Synonym: benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl PubChem CID: 519956 IUPAC Name: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine SMILES: C[NH+](C)CC1=CC=C(C=C)C=C1
p-Toluenesulfonic acid monohydrate, ACS reagent
CAS: 6192-52-5 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O
4-Chloroanisole, 99%
CAS: 623-12-1 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 InChI Key: YRGAYAGBVIXNAQ-UHFFFAOYSA-N Synonym: 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q PubChem CID: 12167 IUPAC Name: 1-chloro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Cl
p-Toluenesulfonylmethyl isocyanide, 97%
CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
N-alpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, 98%
CAS: 95713-52-3 Molecular Formula: C9H9FN4O5 Molecular Weight (g/mol): 272.19 MDL Number: MFCD00042049 InChI Key: NEPLBHLFDJOJGP-BYPYZUCNSA-N Synonym: marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa PubChem CID: 5486955 IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide SMILES: C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
3-(Triphenylphosphoranylidene)tetrahydropyran-2-one, 97%, Thermo Scientific™
CAS: 218282-19-0 Molecular Formula: C23H21O2P Molecular Weight (g/mol): 360.39 MDL Number: MFCD20481847 InChI Key: PZGUKMFSICDTKX-UHFFFAOYSA-N Synonym: 3-triphenyl-??-phosphanylidene oxan-2-one,3-triphenylphosphoranylidene tetrahydropyran-2-one PubChem CID: 10594674 IUPAC Name: 3-(triphenyl-$l^{5}-phosphanylidene)oxan-2-one SMILES: O=C1OCCCC1=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
4-(Trifluoromethoxy)iodobenzene, 97%
CAS: 103962-05-6 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042411 InChI Key: RTUDBROGOZBBIC-UHFFFAOYSA-N Synonym: 1-iodo-4-trifluoromethoxy benzene,4-trifluoromethoxy iodobenzene,4-iodotrifluoromethoxybenzene,1-iado-4-trifluoromethoxy benzene,p-trifluoromethoxy iodobenzene,4-trifluoromethoxy-iodobenzene,1-iodo-4-trifluoromethoxy-benzene,benzene, 1-iodo-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4-iodoanisole,4-iodo-alpha,alpha,alpha-trifluoromethoxybenzene PubChem CID: 2777294 IUPAC Name: 1-iodo-4-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=C(I)C=C1
Naftifine hydrochloride, 99%, Thermo Scientific Chemicals
CAS: 65473-14-5 Molecular Formula: C21H21N·ClH Molecular Weight (g/mol): 323.86 InChI Key: OLUNPKFOFGZHRT-YGCVIUNWSA-N Synonym: naftifine hydrochloride,naftifine hcl,naftin,exoderil,naftifungin,n-trans-cinnamyl-n-methyl-1-naphthylmethyl amine hydrochloride,e-n-cinnamyl-n-methyl-1-naphthalenemethylamine hydrochloride,naftin tn,e-n-methyl-n-1-naphthylmethyl-3-phenyl-2-propen-1-amine-hydrochloride PubChem CID: 5281098 ChEBI: CHEBI:7452 IUPAC Name: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride SMILES: CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl