Benzene and substituted derivatives
Benzyl propargyl ether, 97%
CAS: 4039-82-1 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00483987 InChI Key: PAQVEXAFKDWGOT-UHFFFAOYSA-N Synonym: benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne PubChem CID: 6917484 IUPAC Name: prop-2-ynoxymethylbenzene SMILES: C#CCOCC1=CC=CC=C1
4-Iodobenzoic acid, 98%
CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.02 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: OC(=O)C1=CC=C(I)C=C1
4-(Boc-amino)benzeneboronic acid, 97%
CAS: 380430-49-9 Molecular Formula: C11H16BNO4 Molecular Weight (g/mol): 237.06 MDL Number: MFCD02093054 InChI Key: UBVOLHQIEQVXGM-UHFFFAOYSA-N Synonym: 4-boc-aminophenyl boronic acid,4-n-boc-amino phenylboronic acid,4-tert-butoxycarbonyl amino phenyl boronic acid,4-tert-butoxycarbonylamino phenylboronic acid,4-tert-butoxycarbonyl aminophenylboronic acid,4-boc-amino benzeneboronic acid,4-aminobenzeneboronic acid, n-boc protected,4-tert-butoxycarbonyl amino phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino phenyl boronic acid,4-tert-butoxycarbonylamino phenyl boronic acid PubChem CID: 3613184 IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B(O)O
5-Iodosalicylic acid, 97%
CAS: 119-30-2 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.018 MDL Number: MFCD00002458 InChI Key: SWDNKOFGNPGRPI-UHFFFAOYSA-N Synonym: 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci PubChem CID: 8388 IUPAC Name: 2-hydroxy-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)O
4-Bromo-2,3,5,6-tetrafluorobenzoyl chloride, 98%, Thermo Scientific Chemicals
CAS: 122033-54-9 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001173 InChI Key: XVYIQLOULDERAO-UHFFFAOYSA-N Synonym: 4-bromo-2,3,5,6-tetrafluorobenzoylchloride,benzoyl chloride,4-bromo-2,3,5,6-tetrafluoro,acmc-20amnz,4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783245 IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)Cl
3-Fluorophenylacetone, 98%, Thermo Scientific™
CAS: 1737-19-5 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00061144 InChI Key: UWCPYXSRCQVABG-UHFFFAOYSA-N Synonym: 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone PubChem CID: 137185 IUPAC Name: 1-(3-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)F
4-Fluoro-o-phenylenediamine, 97%
CAS: 367-31-7 Molecular Formula: C6H7FN2 Molecular Weight (g/mol): 126.134 MDL Number: MFCD00042228 InChI Key: KWEWNOOZQVJONF-UHFFFAOYSA-N Synonym: 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro PubChem CID: 164584 IUPAC Name: 4-fluorobenzene-1,2-diamine SMILES: C1=CC(=C(C=C1F)N)N
2,4,6-Triisopropylbenzenesulfonamide, 98%
CAS: 105536-22-9 Molecular Formula: C15H25NO2S Molecular Weight (g/mol): 283.43 MDL Number: MFCD00051975 InChI Key: PRMNQLMPSVOZIX-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonamide,2,4,6-tri propan-2-yl benzenesulfonamide,2,4,6-tris methylethyl benzenesulfonamide,cbmicro_034663,acmc-1bt32,2,4,6-triisopropylbenzenesulfonamine,benzenesulfonamide,2,4,6-tris 1-methylethyl PubChem CID: 736244 IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonamide SMILES: CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(N)(=O)=O
2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™
CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S
3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), water <4%
CAS: 3119-15-1 Molecular Formula: C7H3I3NNaO2 Molecular Weight (g/mol): 536.81 MDL Number: MFCD00007681 InChI Key: CTXRMWPLTDAHOR-UHFFFAOYSA-M Synonym: unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid PubChem CID: 18387 IUPAC Name: 3-amino-2,4,6-triiodobenzoic acid SMILES: [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I
(4-Bromobenzyl)triphenylphosphonium bromide, 98%
CAS: 51044-13-4 Molecular Formula: C25H21Br2P Molecular Weight (g/mol): 512.23 MDL Number: MFCD00051922 InChI Key: FQJYKXVQABPCRA-UHFFFAOYSA-M Synonym: 4-bromobenzyl triphenylphosphonium bromide,phosphonium, 4-bromophenyl methyl triphenyl-, bromide,4-bromophenyl methyl triphenylphosphanium bromide,acmc-20apnl,4-bromobenzyltriphenylphosphoniumbromide,4-bromobenzyl triphenylphosphoniumbromide,4-bromobenzyl triphenylphosphonium-bromide,4-bromobenzyl triphenyl-phosphonium bromide,4-bromobenzyl triphenyl phosphonium bromide PubChem CID: 2724858 IUPAC Name: (4-bromophenyl)methyl-triphenylphosphanium;bromide SMILES: [Br-].BrC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
3-Amino-2-methylphenylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 882678-96-8 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.12 MDL Number: MFCD11054038 InChI Key: JMKMGPGFYMANCA-UHFFFAOYSA-N Synonym: 2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-amino-2-methylphenylboronic acid, pinacol ester,3-amino-2-methylphenylboronic acid pinacol ester,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenylamine,3-amino-2-methylphenyl boronic acid pinacol ester,2-methyl-3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenyl-amine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenylamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzenamine PubChem CID: 46738005 IUPAC Name: 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1=C(C=CC=C1N)B1OC(C)(C)C(C)(C)O1
2-Acetyl-6-methoxynaphthalene, 98%
CAS: 3900-45-6 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00021643 InChI Key: GGWCZBGAIGGTDA-UHFFFAOYSA-N Synonym: 2-acetyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethanone,1-6-methoxy-2-naphthyl ethanone,6-methoxy-2-acetylnaphthalene,unii-61vbh3537c,6'-methoxy-2'-acetonaphthone,1-6-methoxy-2-naphthyl ethan-1-one,ethanone, 1-6-methoxy-2-naphthalenyl,2-acetyl-6-methoxy naphthalene,6-methoxy-2-acetyl naphthalene PubChem CID: 77506 IUPAC Name: 1-(6-methoxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
4-Amino-2-(trifluoromethyl)benzoic acid, 97+%
CAS: 393-06-6 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD03407959 InChI Key: AMVHEVZYTGHASE-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzoic acid,5-amino-2-carboxybenzotrifluoride,2-trifluoromethyl-4-aminobenzoic acid,pubchem1360,4-amimo-2-trifluoromethyl benzoicacid,acmc-209j4m,ksc495q5d,rarechem al bo 0438,buttpark 44\01-93,4-amino-2-trifluoromethyl benzoicacid PubChem CID: 3836325 IUPAC Name: 4-amino-2-(trifluoromethyl)benzoic acid SMILES: NC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
3,4-Dimethoxyphenylacetic acid, 98%
CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC