Benzenoids
3-Fluoroanisole, 98%, Thermo Scientific™
CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1
1-Indanol, 98%
CAS: 10-6-6351 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003797 InChI Key: YIAPLDFPUUJILH-UHFFFAOYNA-N Synonym: 1-indanol,indanol,indan-1-ol,1-hydroxyhydrindene,1h-inden-1-ol, 2,3-dihydro,1h-indenol, 2,3-dihydro,1-hydroxyindan,1-hydroxyindane,1-indanole,--indanol PubChem CID: 22819 ChEBI: CHEBI:16697 IUPAC Name: 2,3-dihydro-1H-inden-1-ol SMILES: C1CC2=CC=CC=C2C1O
2-Bromo-5-chlorobenzaldehyde, 97%
CAS: 174265-12-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00462870 InChI Key: IIISHLMCTDMUHH-UHFFFAOYSA-N Synonym: 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa PubChem CID: 15391279 IUPAC Name: 2-bromo-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)Br
2-Bromo-3-(trifluoromethyl)aniline, 98%, Thermo Scientific Chemicals
CAS: 58458-10-9 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.023 MDL Number: MFCD01656033 InChI Key: XIUJCAJFRWDEKE-UHFFFAOYSA-N Synonym: 2-bromo-3-trifluoromethyl aniline,3-amino-2-bromobenzotrifluoride,2-bromo-3-trifluoromethyl benzenamine,2-bromo-3-trifluoromethyl phenylamine,benzenamine, 2-bromo-3-trifluoromethyl,pubchem4829,ksc275a9t,2-bromo-3-trifluoromethyl-aniline,3-amino-2-bromobenzotrifluoride 2-bromo-3-trifluoromethyl aniline PubChem CID: 94058 IUPAC Name: 2-bromo-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C(=C1)N)Br)C(F)(F)F
4-chlorobenzylamine, 98%
CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl
o-Toluidine, 99%
CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N
2'-Acetonaphthone, 99%
CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
4-Bromobenzoic acid, 97%
CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1
4-Nitrobenzenesulfonamide, 97%
CAS: 6325-93-5 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007937 InChI Key: QWKKYJLAUWFPDB-UHFFFAOYSA-N Synonym: benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide PubChem CID: 22784 IUPAC Name: 4-nitrobenzenesulfonamide SMILES: NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Triphenylene, 98%
CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
4-Acetamidobenzoic acid, 99+%
CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.17 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O
2-Hydroxyphenethyl alcohol, 98%
CAS: 7768-28-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002890 InChI Key: ABFCOJLLBHXNOU-UHFFFAOYSA-N Synonym: 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol PubChem CID: 82200 ChEBI: CHEBI:64803 IUPAC Name: 2-(2-hydroxyethyl)phenol SMILES: OCCC1=CC=CC=C1O
1-Aminoindan, 98%
CAS: 34698-41-4 Molecular Formula: C9H12N Molecular Weight (g/mol): 134.20 MDL Number: MFCD00003799 InChI Key: XJEVHMGJSYVQBQ-VIFPVBQESA-O Synonym: 1-aminoindan,1-aminoindane,1-indanamine,indan-1-ylamine,indanamin,aminoindan,indanylamine,indan-1-amine,1h-inden-1-amine, 2,3-dihydro,2,3-dihydro-1h-inden-1-ylamine PubChem CID: 123445 IUPAC Name: 2,3-dihydro-1H-inden-1-amine SMILES: [NH3+][C@H]1CCC2=CC=CC=C12
4-Ethoxy-3-methoxybenzaldehyde, 95%, Thermo Scientific™
CAS: 120-25-2 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC
2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O