Benzenoids
2,3-Naphthalenedicarboxylic Acid 98.0+%, TCI America™
CAS: 2169-87-1 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.192 MDL Number: MFCD00004104 InChI Key: KHARCSTZAGNHOT-UHFFFAOYSA-N Synonym: 2,3-naphthalenedicarboxylic acid,2,3-naphthalenedicarboxylicacid,acmc-1cb2t,ghl.pd_mitscher_leg0.770 PubChem CID: 95073 IUPAC Name: naphthalene-2,3-dicarboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O
N-(tert-Butoxycarbonyl)-p-toluenesulfonamide 98.0+%, TCI America™
CAS: 18303-04-3 Molecular Formula: C12H17NO4S Molecular Weight (g/mol): 271.331 MDL Number: MFCD00134267 InChI Key: DUTLOVSBVBGNDM-UHFFFAOYSA-N Synonym: N-Boc-p-toluenesulfonamide PubChem CID: 688170 IUPAC Name: tert-butyl N-(4-methylphenyl)sulfonylcarbamate SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)(C)C
3,5-Di-tert-butylcatechol 98.0+%, TCI America™
CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
2-Chlorostyrene (stabilized with TBC) 96.0+%, TCI America™
CAS: 2039-87-4 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000567 InChI Key: ISRGONDNXBCDBM-UHFFFAOYSA-N Synonym: 2-chlorostyrene,1-chloro-2-vinylbenzene,o-chlorostyrene,benzene, 1-chloro-2-ethenyl,styrene, o-chloro,ortho-chlorostyrene,stryene, o-chloro,styrene, 2-chloro,unii-za43r4q315,ccris 4598 PubChem CID: 14906 IUPAC Name: 1-chloro-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Cl
2-Naphthyl Phenyl Ketone 98.0+%, TCI America™
CAS: 644-13-3 Molecular Formula: C17H12O Molecular Weight (g/mol): 232.28 MDL Number: MFCD00004106 InChI Key: SJNXJRVDSTZUFB-UHFFFAOYSA-N Synonym: 2-benzoylnaphthalene,2-naphthyl phenyl ketone,2-benzonaphthone,naphthalen-2-yl phenyl methanone,methanone, 2-naphthalenylphenyl,2'-benzonaphthone,ketone, 2-naphthyl phenyl,2-naphthylphenylketone,beta-benzoylnaphthalene,2-naphthyl phenyl methanone PubChem CID: 69516 IUPAC Name: (naphthalen-2-yl)(phenyl)methanone SMILES: O=C(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1
2,4-Dimethoxybenzylamine 98.0+%, TCI America™
CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC
Butyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O
(+)-Usnic Acid 98.0+%, TCI America™
CAS: 7562-61-0 Molecular Formula: C18H16O7 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00016878,MFCD00065294 InChI Key: CUCUKLJLRRAKFN-KKIBXBACSA-N Synonym: +-usnic acid,d-usninic acid,r-usnic acid,r-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1-one,+-usnic acid from usnea dasypoga,--usnic acid,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo b,d furan-1 9bh-one,r-+-usnic acid,unii-0w584pfj77 component,9br-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-1-dibenzofuranone PubChem CID: 478125 ChEBI: CHEBI:38320 IUPAC Name: (2S)-4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraene-3,5-dione SMILES: CC(=O)C1C(=O)C=C2OC3=C(C(C)=O)C(O)=C(C)C(O)=C3[C@]2(C)C1=O
(S)-Citalopram Oxalate 98.0+%, TCI America™
CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 MDL Number: MFCD06407826 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
4-n-Octylbenzoic Acid 97.0+%, TCI America™
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
2-Ethylhexyl Salicylate 98.0+%, TCI America™
CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.338 MDL Number: MFCD00053300 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYSA-N Synonym: 2-ethylhexyl salicylate,octisalate,sunarome o,sunarome wmo,ethyl hexyl salicylate,benzoic acid, 2-hydroxy-, 2-ethylhexyl ester,usaf do-11,salicylic acid, 2-ethylhexyl ester,salicylic acid 2-ethylhexyl ester,ethylhexyl salicylate PubChem CID: 8364 IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
Ethyl Benzoate 99.0+%, TCI America™
CAS: 93-89-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
3-Chlorobenzyl Cyanide 98.0+%, TCI America™
CAS: 1529-41-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00001908 InChI Key: GTIKLPYCSAMPNG-UHFFFAOYSA-N Synonym: 3-chlorobenzyl cyanide,3-chlorophenyl acetonitrile,2-3-chlorophenyl acetonitrile,3-chlorophenylacetonitrile,3-chlorobenzeneacetonitrile,m-chlorobenzyl cyanide,acetonitrile, m-chlorophenyl,benzeneacetonitrile, 3-chloro,m-chlorophenyl acetonitrile,2-3-chlorophenyl ethanenitrile PubChem CID: 73722 IUPAC Name: 2-(3-chlorophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)Cl)CC#N
2,2-Bis(4-hydroxyphenyl)propane 99.0+%, TCI America™
CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™
CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34