Benzenoids
N,N'-Dibenzylethylenediamine diacetate, 99%
CAS: 122-75-8 Molecular Formula: C20H28N2O4 Molecular Weight (g/mol): 360.454 MDL Number: MFCD00040588 InChI Key: MTRNNCLQPVCDLF-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine diacetate,n1,n2-dibenzylethane-1,2-diamine diacetate,n,n'-dibenzyl ethylenediamine diacetate,benzathine diacetate,dbed diacetate,unii-x18b8x2c22,n,n'-dibenzylethylenediammonium di acetate,1,2-ethanediamine, n,n'-bis phenylmethyl-, diacetate,bis acetic acid ; benzathine,1,2-di benzylamino ethane diacetate PubChem CID: 31228 IUPAC Name: acetic acid;N,N'-dibenzylethane-1,2-diamine SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
1-Bromo-2-cyclohexylbenzene, 97%
CAS: 59734-92-8 Molecular Formula: C12H15Br Molecular Weight (g/mol): 239.16 MDL Number: MFCD02093987 InChI Key: BXMDAGGQRIDSPA-UHFFFAOYSA-N Synonym: 1-bromo-2-cyclohexyl-benzene,benzene, 1-bromo-2-cyclohexyl,acmc-20aoxa,l-bromo-2-cyclohexylbenzene,2-bromo-1-cyclohexylbenzene PubChem CID: 10944502 IUPAC Name: 1-bromo-2-cyclohexylbenzene SMILES: BrC1=CC=CC=C1C1CCCCC1
5-Chloro-2-hydroxybenzamide, 97%
CAS: 7120-43-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007980 InChI Key: NNHMQZBVJPQCAK-UHFFFAOYSA-N Synonym: 5-chlorosalicylamide,chlorosalicylamide,benzamide, 5-chloro-2-hydroxy,5-chlorosalicyl-amide,acmc-209ohl,5chloro-2-hydroxy-benzamide,ksc498a5j,5-chloro-2-hydroxy-benzamide,#,5-chloranyl-2-oxidanyl-benzamide PubChem CID: 348094 IUPAC Name: 5-chloro-2-hydroxybenzamide SMILES: NC(=O)C1=CC(Cl)=CC=C1O
2-Fluoro-5-methoxybenzaldehyde, 97%
CAS: 105728-90-3 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00070795 InChI Key: DKIQXHIAEMGZGO-UHFFFAOYSA-N Synonym: 6-fluoro-m-anisaldehyde,2-fluoro-5-methoxy-benzaldehyde,2-fluoro-5-methoxy benzaldehyde,benzaldehyde, 2-fluoro-5-methoxy,pubchem2634,4-fluoro-3-formylanisole,acmc-2098hi,ksc490m2b,2-fluoro-5-methyloxy benzaldehyde,2-fluoro-5-methoxybenzaldehyde PubChem CID: 2734872 IUPAC Name: 2-fluoro-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)F)C=O
3,5-Diiodosalicylic acid, 97%
CAS: 133-91-5 Molecular Formula: C7H4I2O3 Molecular Weight (g/mol): 389.915 MDL Number: MFCD00002444 InChI Key: DHZVWQPHNWDCFS-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylic acid,3,5-diiodo-2-hydroxybenzoic acid,benzoic acid, 2-hydroxy-3,5-diiodo,2-hydroxy-3,5-diiodobenzoate,3,5-diiodosalicylate,2-hydroxy-3,5-diiodobenzenecarboxylic acid,salicylic acid, 3,5-diiodo,2-hydroxy-3,5-diiodo-benzoic acid,benzoic acid, 3,5-diiodo-2-hydroxy,3,5-diiodosalicylicacid PubChem CID: 8631 IUPAC Name: 2-hydroxy-3,5-diiodobenzoic acid SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I
4-Bromo-2-ethyl-1-iodobenzene, 97%, stab. with copper, Thermo Scientific Chemicals
CAS: 175278-30-5 Molecular Formula: C8H8BrI Molecular Weight (g/mol): 310.96 MDL Number: MFCD00221458 InChI Key: JWKQXPHYKRQLEJ-UHFFFAOYSA-N PubChem CID: 2761396 IUPAC Name: 4-bromo-2-ethyl-1-iodobenzene SMILES: CCC1=C(C=CC(=C1)Br)I
1,2-Bis(methanesulfonamido)benzene, 97%
CAS: 7596-80-7 Molecular Formula: C8H12N2O4S2 Molecular Weight (g/mol): 264.31 MDL Number: MFCD00276605 InChI Key: BYZJRLRCNOECEV-UHFFFAOYSA-N Synonym: 1,2-bis methanesulfonamido benzene,n,n'-1,2-phenylene dimethanesulfonamide,n-2-methanesulfonamidophenyl methanesulfonamide,n-2-methylsulfonyl amino phenyl methanesulfonamide,methylsulfonyl 2-methylsulfonyl amino phenyl amine,maybridge1_000065,n,n'-o-phenylenebis methanesulfonamide,o-phenylenediamine n,n'-bis methanesulfonamide,n-2-methanesulfonamido phenyl methanesulfonamide PubChem CID: 227307 IUPAC Name: N-[2-(methanesulfonamido)phenyl]methanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC=C1NS(C)(=O)=O
4-Ethoxybenzonitrile, 98%
CAS: 25117-74-2 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001819 InChI Key: PJRLUGQMEZZDIY-UHFFFAOYSA-N Synonym: benzonitrile, 4-ethoxy,p-ethoxycyanobenzene,p-ethoxybenzonitrile,4-ethoxybenzoic acid nitrile,benzonitrile, p-ethoxy,4-ethoxybenzenecarbonitrile,4-ethoxy-benzonitrile,4-ethyloxybenzonitrile,acmc-1cis8 PubChem CID: 141176 IUPAC Name: 4-ethoxybenzonitrile SMILES: CCOC1=CC=C(C=C1)C#N
1-Bromo-4-n-hexyloxybenzene, 97%, Thermo Scientific Chemicals
CAS: 30752-19-3 Molecular Formula: C12H17BrO Molecular Weight (g/mol): 257.171 MDL Number: MFCD00173753 InChI Key: GKLMJONYGGTHHM-UHFFFAOYSA-N Synonym: 1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether PubChem CID: 520492 IUPAC Name: 1-bromo-4-hexoxybenzene SMILES: CCCCCCOC1=CC=C(C=C1)Br
2,4,6-Trifluorobenzoic acid, 98%
CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
4-Bromo-2-fluorobenzyl bromide, 98%
CAS: 76283-09-5 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD00055467 InChI Key: XMHNLZXYPAULDF-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl bromide,4-bromo-1-bromomethyl-2-fluorobenzene,2-fluoro-4-bromobenzyl bromide,4-bromo-2-fluorobenzylbromide,2-fluoro-4-bromo-benzylbromide,alpha,4-dibromo-2-fluorotoluene,unii-0z26xyc1jy,4,alpha-dibromo-2-fluorotoluene,4-bromo-1-bromomethyl-2-fluoro-benzene,0z26xyc1jy PubChem CID: 2733660 IUPAC Name: 4-bromo-1-(bromomethyl)-2-fluorobenzene SMILES: C1=CC(=C(C=C1Br)F)CBr
1-Chloro-2-fluorobenzene, 98+%
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water
CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
N-Fmoc-L-proline, 98%
CAS: 71989-31-6 Molecular Formula: C20H19NO4 Molecular Weight (g/mol): 337.38 MDL Number: MFCD00037122 InChI Key: ZPGDWQNBZYOZTI-UHFFFAOYNA-N Synonym: fmoc-pro-oh,fmoc-l-proline,fmoc-l-pro-oh,n-fmoc-l-proline,n-9-fluorenylmethoxycarbonyl-l-proline,s-1-9h-fluoren-9-yl methoxy carbonyl pyrrolidine-2-carboxylic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-proline,fmoc-pro,2s-1-9h-fluoren-9-ylmethoxy carbonyl pyrrolidine-2-carboxylic acid,9-fluorenylmethoxycarbonyl-l-proline PubChem CID: 688135 IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid SMILES: OC(=O)C1CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
N-Fmoc-L-threonine monohydrate, 98%
CAS: 73731-37-0 Molecular Formula: C19H21NO6 Molecular Weight (g/mol): 359.38 MDL Number: MFCD00792901 InChI Key: CGNQPFAECJFQNV-NRNQBQMASA-N Synonym: fmoc-thr-oh,fmoc-l-threonine,fmoc-l-thr-oh,2-9h-fluoren-9-ylmethoxycarbonylamino-3-hydroxy-butanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine,2s,3r-2-9h-fluoren-9-yl methoxy carbonyl amino-3-hydroxybutanoic acid,n-9-fluorenylmethoxycarbonyl-l-threonine,2s,3r-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-hydroxybutanoic acid,fmoc-thr-oh monohydrate,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine monohydrate PubChem CID: 6992530 IUPAC Name: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid SMILES: O.C[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O