Benzene and substituted derivatives
2,6-Di-tert-butylphenol, 98%
CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Alizarin Cyanin Green F, TCI America™
CAS: 4403-90-1 Molecular Formula: C28H20N2Na2O8S2 Molecular Weight (g/mol): 622.574 MDL Number: MFCD00001193 InChI Key: FPAYXBWMYIMERV-UHFFFAOYSA-L Synonym: Acid Green 25 PubChem CID: 20431 IUPAC Name: disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+]
Tamoxifen, MP Biomedicals
CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N PubChem CID: 2733526 ChEBI: CHEBI:41774 SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Tolylene 2,4-diisocyanate, 75%, technical
CAS: 584-84-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O
4-tert-Butyltoluene, 96%
CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C
Celecoxib 98.0+%, TCI America™
CAS: 169590-42-5 Molecular Formula: C17H14F3N3O2S Molecular Weight (g/mol): 381.373 MDL Number: MFCD00941298 InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N Synonym: celecoxib,celebrex,celebra,onsenal,celocoxib,celecox,xilebao,4-5-4-methylphenyl-3-trifluoromethyl-1h-pyrazol-1-yl benzenesulfonamide,celecoxib usan,celecoxib old rn PubChem CID: 2662 ChEBI: CHEBI:41423 IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
3,3',5,5'-Tetramethylbenzidine dihydrochloride hydrate, 98+%
CAS: 207738-08-7 Molecular Formula: C16H22Cl2N2 Molecular Weight (g/mol): 313.27 MDL Number: MFCD00150104 InChI Key: NYNRGZULARUZCC-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine dihydrochloride dihydrate,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride dihydrate,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,pubchem9044,tetramethylbenzidine dihydrate dihydrochloride PubChem CID: 19836601 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrate;dihydrochloride SMILES: Cl.Cl.CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1
3-Methoxybenzaldehyde, 98%
CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O
4-Nitrobenzyl chloride, 99%
CAS: 100-14-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007374 InChI Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x PubChem CID: 7482 ChEBI: CHEBI:87406 IUPAC Name: 1-(chloromethyl)-4-nitrobenzene SMILES: C1=CC(=CC=C1CCl)[N+](=O)[O-]
Benzylideneacetone, 98+%
CAS: 122-57-6 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 SMILES: CC(=O)\C=C\C1=CC=CC=C1
N,N-Dimethyl-m-toluidine, 97+%
CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1
o-Dianisidine, 98+%
CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Ethyltriphenylphosphonium iodide, 98+%
CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyl(triphenyl)phosphanium;iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
(+/-)-Atenolol
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
Phenyl Ether 99.0+%, TCI America™
CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2