Benzene and substituted derivatives
1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole, 98%
CAS: 74257-00-4 Molecular Formula: C11H12N4O4S Molecular Weight (g/mol): 296.30 MDL Number: MFCD00009754 InChI Key: SFYDWLYPIXHPML-UHFFFAOYSA-N Synonym: 1-mesitylsulfonyl-3-nitro-1h-1,2,4-triazole,1-mesitylene-2-sulfonyl-3-nitro-1,2,4-triazole,msnt,1-mesitylene-2-sulfonyl-3-nitro-1h-1,2,4-triazole,3-nitro-1-2,4,6-trimethylphenyl sulfonyl-1,2,4-triazole,1-2-mesitylenesulfonyl-3-nitro-1h-1,2,4-triazole,2,4,6-trimethylphenyl-3-nitro-1,2,4-triazol-1-yl sulfone,3-nitro-1-2,4,6-trimethylbenzenesulfonyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro-1-2,4,6-trimethylphenyl sulfonyl PubChem CID: 716901 IUPAC Name: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N1C=NC(=N1)[N+]([O-])=O
2-Methyl-3-nitrobenzotrifluoride, 97%
CAS: 6656-49-1 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD00042322 InChI Key: KQUQBPVYIURTNZ-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzotrifluoride,2-nitro-6-trifluoromethyltoluene,2-methyl-1-nitro-3-trifluoromethyl benzene,2-nitro-6-trifluoromethyl toluene,2-methyl-3-trifluoromethyl nitrobenzene,benzene, 2-methyl-1-nitro-3-trifluoromethyl,alpha,alpha,alpha-trifluoro-3-nitro-o-xylene,3-trifluoromethyl-2-methyl-1-nitrobenzene,pubchem4816,2-methyl-3-nitro-benzotrifluoride PubChem CID: 81171 IUPAC Name: 2-methyl-1-nitro-3-(trifluoromethyl)benzene SMILES: CC1=C(C=CC=C1C(F)(F)F)[N+]([O-])=O
1-(4-Iodobenzyl)pyrrolidine, ≥97%, Thermo Scientific™
CAS: 858676-60-5 Molecular Formula: C11H14IN Molecular Weight (g/mol): 287.144 MDL Number: MFCD07775752 InChI Key: RDHZJYCRHTZBIX-UHFFFAOYSA-N Synonym: 1-4-iodobenzyl pyrrolidine,1-4-iodophenyl methyl pyrrolidine,1-4-iodo-benzyl-pyrrolidine,pyrrolidine,1-4-iodophenyl methyl PubChem CID: 18525867 IUPAC Name: 1-[(4-iodophenyl)methyl]pyrrolidine SMILES: C1CCN(C1)CC2=CC=C(C=C2)I
3-(Benzyldimethylammonio)propanesulfonate, 95%
CAS: 81239-45-4 Molecular Formula: C12H19NO3S Molecular Weight (g/mol): 257.35 MDL Number: MFCD00225018 InChI Key: MEJASPJNLSQOAG-UHFFFAOYSA-N Synonym: ndsb-256,3-benzyl dimethyl ammonio propane-1-sulfonate,3-benzyldimethylammonio propane-1-sulfonate,dimethylbenzylammonium propane sulfonate,3-benzyl dimethyl ammonio propane-1-sulphonate,ndsb 256,dmx,3-benzyldimethylammonio propanesulfonate,3-dimethylbenzylamino propanesulfonic acid,3-benzyl dimethyl azaniumyl propane-1-sulfonate PubChem CID: 4386830 IUPAC Name: 3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate SMILES: C[N+](C)(CCCS([O-])(=O)=O)CC1=CC=CC=C1
N-Ethyl-p-toluidine, 97%, Thermo Scientific™
CAS: 622-57-1 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 InChI Key: AASABFUMCBTXRL-UHFFFAOYSA-N Synonym: n-ethyl-p-toluidine,benzenamine, n-ethyl-4-methyl,n-ethyl-4-toluidine,n-ethyl-p-methylaniline,p-methyl-n-ethylaniline,p-toluidine, n-ethyl,n-ethyl-4-methyl-aniline,n-athyl-p-toluidin,4-ethylamino toluene,ethyl 4-methylphenyl amine PubChem CID: 61164 IUPAC Name: N-ethyl-4-methylaniline SMILES: CCNC1=CC=C(C=C1)C
5-Fluoro-2-nitrobenzoic acid, 98%
CAS: 320-98-9 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
4-Methyl-3-nitroaniline, 98%
CAS: 119-32-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007910 InChI Key: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC Name: 4-methyl-3-nitroaniline SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
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'-Chlorobiphenyl-4-carboxaldehyde, 97%
CAS: 80565-30-6 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.66 MDL Number: MFCD01631911 InChI Key: UXCMNUUPBMYDLJ-UHFFFAOYSA-N Synonym: 4'-chlorobiphenyl-4-carbaldehyde,4-4-chlorophenyl benzaldehyde,4'-chloro-1,1'-biphenyl-4-carbaldehyde,4'-chloro-biphenyl-4-carbaldehyde,4'-chlorobiphenyl-4-carboxaldehyde,4'-chloro 1,1'-biphenyl-4-carbaldehyde,pubchem10240,acmc-209pjr,amtda049 PubChem CID: 592570 IUPAC Name: 4-(4-chlorophenyl)benzaldehyde SMILES: ClC1=CC=C(C=C1)C1=CC=C(C=O)C=C1
Bis(p-toluenesulfonyl)methane, 97%
CAS: 15310-28-8 Molecular Formula: C15H16O4S2 Molecular Weight (g/mol): 324.41 MDL Number: MFCD00032255 InChI Key: XLOXYWLRAKCDQL-UHFFFAOYSA-N Synonym: ditosylmethane,bis-toluene-4-sulfonyl-methane,1-methyl-4-4-methylbenzenesulfonyl methanesulfonyl benzene,1,1'-methanediyldisulfonyl bis 4-methylbenzene,acmc-20allu,bis p-tolylsulfonyl methane,bis p-toluenesulfonyl methane,bis-toluene-4-sulfonyl methane,1,1'-methylenedisulfonyl bis 4-methylbenzene,benzene,1,1'-methylenebis sulfonyl bis 4-methyl PubChem CID: 275690 IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C1=CC=C(C)C=C1
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
p-Tolyl chlorothionoformate, 97%
CAS: 937-63-3 Molecular Formula: C8H7ClOS Molecular Weight (g/mol): 186.65 MDL Number: MFCD00014466 InChI Key: UNCAXIZUVRKBMN-UHFFFAOYSA-N Synonym: 4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride PubChem CID: 70305 IUPAC Name: O-(4-methylphenyl) chloromethanethioate SMILES: CC1=CC=C(OC(Cl)=S)C=C1
2-Methylphenoxyacetic acid, 98%
CAS: 1878-49-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00014354 InChI Key: QJVXBRUGKLCUMY-UHFFFAOYSA-N Synonym: 2-methylphenoxy acetic acid,2-2-methylphenoxy acetic acid,2-methylphenoxyacetic acid,acetic acid, 2-methylphenoxy,o-tolyloxyacetic acid,o-tolyloxy acetic acid,2-o-tolyloxy acetic acid,acetic acid, o-tolyloxy,acide o-methylphenoxyacetique,unii-pxo85n85g3 PubChem CID: 74651 IUPAC Name: 2-(2-methylphenoxy)acetic acid SMILES: CC1=CC=CC=C1OCC(=O)O
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-Triisopropylbenzeneboronic acid, 98%
CAS: 154549-38-9 Molecular Formula: C15H25BO2 Molecular Weight (g/mol): 248.173 MDL Number: MFCD02683099 InChI Key: FGFYEKLWZBTLEW-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylphenyl boronic acid,2,4,6-triisopropylphenylboronic acid,2,4,6-triisopropylbenzeneboronic acid,2,4,6-tri propan-2-yl phenyl boronic acid,2,4,6-tris propan-2-yl phenyl boronic acid,acmc-209dav,2,4,6-triisopropylphenyiboronic acid,2,4,6-triisopropylphenyl boronicacid PubChem CID: 15153544 IUPAC Name: [2,4,6-tri(propan-2-yl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O